data_2lab_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 2lab _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 ' 534' ' ' ASN . . . . . 0.463 ' HB3' ' CG2' ' A' ' 610' ' ' THR . 1.2 m-20 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 19.7 mttt -144.59 151.46 39.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . 0.483 ' CG2' ' HB ' ' A' ' 579' ' ' VAL . 0.4 OUTLIER -119.97 117.2 52.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.344 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 5.9 m -101.49 122.12 43.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.411 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 3.0 t -126.67 132.78 69.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 539' ' ' TYR . . . . . 0.57 ' CD2' ' HG2' ' A' ' 631' ' ' PRO . 1.2 m-85 -107.16 122.87 47.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 111.044 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 540' ' ' TYR . . . . . 0.815 ' CD1' ' CZ ' ' A' ' 591' ' ' PHE . 41.1 t80 -108.52 139.33 43.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -91.99 114.87 27.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 542' ' ' LYS . . . . . 0.417 ' HG3' ' CA ' ' A' ' 543' ' ' GLY . 5.6 ttpt -80.41 138.67 36.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 543' ' ' GLY . . . . . 0.417 ' CA ' ' HG3' ' A' ' 542' ' ' LYS . . . 155.57 -130.29 2.74 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.544 1.152 . . . . 0.0 111.01 -0.018 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -130.53 -86.09 0.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 0.79 . . . . 0.0 110.979 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -147.42 -52.24 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 546' ' ' SER . . . . . 0.473 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 27.6 t -164.65 61.19 0.83 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 547' ' ' PRO . . . . . 0.473 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.4 Cg_endo -74.98 149.64 37.09 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.489 1.783 . . . . 0.0 111.033 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 548' ' ' TYR . . . . . 0.468 ' CE2' ' HB2' ' A' ' 565' ' ' LYS . 3.2 m-85 -110.38 151.85 26.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 111.038 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . 0.612 HG12 ' CD2' ' A' ' 551' ' ' TYR . 0.9 OUTLIER -117.61 143.01 29.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 550' ' ' HIS . . . . . 0.465 ' CE1' ' O ' ' A' ' 559' ' ' THR . 0.8 OUTLIER -128.64 117.18 20.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.622 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 551' ' ' TYR . . . . . 0.612 ' CD2' HG12 ' A' ' 549' ' ' ILE . 0.3 OUTLIER -132.64 161.87 32.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 552' ' ' ARG . . . . . 0.574 ' HG2' ' CH2' ' A' ' 558' ' ' TRP . 9.1 ptt180 -146.39 159.31 45.44 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.3 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 553' ' ' PRO . . . . . 0.715 ' O ' ' C ' ' A' ' 554' ' ' ALA . 18.3 Cg_endo -75.04 141.16 26.2 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.498 1.789 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . 0.715 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -4.51 83.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.419 1.075 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 555' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 553' ' ' PRO . . . 32.55 68.83 0.15 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.555 1.16 . . . . 0.0 111.045 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 553' ' ' PRO . . . -123.09 -92.41 1.06 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 557' ' ' SER . . . . . 0.422 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 0.0 OUTLIER -115.63 138.36 51.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 0.741 . . . . 0.0 109.988 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 558' ' ' TRP . . . . . 0.574 ' CH2' ' HG2' ' A' ' 552' ' ' ARG . 71.3 m95 -95.33 102.99 14.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 107.983 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 559' ' ' THR . . . . . 0.465 ' O ' ' CE1' ' A' ' 550' ' ' HIS . 14.8 m -41.12 164.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.38 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 560' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -57.36 110.07 0.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 561' ' ' ALA . . . . . 0.502 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -74.23 132.97 78.53 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 562' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 561' ' ' ALA . 18.3 Cg_endo -74.95 144.46 81.05 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 121.022 -2.491 . . . . 0.0 111.013 -0.045 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 563' ' ' GLY . . . . . 0.478 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -38.78 -98.59 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.446 1.091 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 564' ' ' VAL . . . . . 0.531 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.8 t -136.52 158.33 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 0.784 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 565' ' ' LYS . . . . . 0.483 ' O ' ' C ' ' A' ' 566' ' ' MET . 0.1 OUTLIER -86.85 115.1 24.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 566' ' ' MET . . . . . 0.554 ' SD ' ' CG2' ' A' ' 577' ' ' ILE . 2.4 mmt -30.39 125.3 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 568' ' ' ASP . 6.8 mt-30 -90.19 111.99 23.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.249 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 567' ' ' GLN . 0.1 OUTLIER -36.83 145.22 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.534 ' HB1' ' CZ ' ' A' ' 539' ' ' TYR . . . -79.35 -144.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -130.01 5.01 4.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.304 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 571' ' ' ILE . . . . . . . . . . . . . 43.6 mt -83.87 -86.68 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 171.53 95.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.043 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 95.34 8.25 58.8 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.547 1.155 . . . . 0.0 111.056 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -104.55 160.45 14.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 0.765 . . . . 0.0 110.96 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 575' ' ' ALA . . . . . 0.409 ' HB1' ' SD ' ' A' ' 566' ' ' MET . . . -121.69 155.88 34.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 576' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 567' ' ' GLN . 7.4 ptmt -155.22 145.84 22.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 577' ' ' ILE . . . . . 0.559 ' O ' ' CD1' ' A' ' 577' ' ' ILE . 0.0 OUTLIER -141.63 147.99 21.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 578' ' ' THR . . . . . 0.416 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 5.6 m -125.23 132.01 53.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.377 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . 0.483 ' HB ' ' CG2' ' A' ' 536' ' ' VAL . 3.0 t -129.41 128.52 66.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 580' ' ' ASP . . . . . 0.403 ' HA ' ' O ' ' A' ' 534' ' ' ASN . 8.7 t70 -80.28 150.05 30.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 581' ' ' ILE . . . . . 0.47 ' CD1' HG22 ' A' ' 610' ' ' THR . 40.2 pt -149.77 57.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 582' ' ' GLY . . . . . 0.495 ' O ' ' CB ' ' A' ' 583' ' ' SER . . . -68.34 57.58 0.44 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.567 1.167 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 583' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 582' ' ' GLY . 0.6 OUTLIER 159.03 -25.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 0.792 . . . . 0.0 109.981 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 584' ' ' ALA . . . . . . . . . . . . . . . -96.58 140.55 31.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.79 -4.29 21.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.984 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -151.53 138.51 19.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.39 142.01 45.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . 0.448 ' HA ' ' O ' ' A' ' 606' ' ' TYR . 3.3 pm0 -105.31 142.66 34.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.285 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 589' ' ' ALA . . . . . 0.561 ' CB ' ' HB3' ' A' ' 551' ' ' TYR . . . -135.25 146.55 48.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -125.81 163.75 22.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 591' ' ' PHE . . . . . 0.815 ' CZ ' ' CD1' ' A' ' 540' ' ' TYR . 0.8 OUTLIER -125.18 127.12 46.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 111.045 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -143.94 135.48 25.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 593' ' ' ASP . 0.0 OUTLIER -68.9 -16.0 63.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 92.17 16.69 49.64 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.125 . . . . 0.0 110.995 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -141.24 67.66 1.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 0.771 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 4.4 m120 48.72 26.25 1.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -116.32 77.0 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 60.3 m95 -92.68 152.92 19.27 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 16.6 t0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 29.5 m120 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 606' ' ' TYR . . . . . 0.614 ' HB2' ' CZ ' ' A' ' 608' ' ' PHE . 30.8 m-85 -109.72 162.6 14.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.966 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 6.6 mt -104.98 121.91 44.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 608' ' ' PHE . . . . . 0.614 ' CZ ' ' HB2' ' A' ' 606' ' ' TYR . 7.2 m-85 -117.48 144.43 45.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 15.6 t -112.53 166.89 10.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.032 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 610' ' ' THR . . . . . 0.47 HG22 ' CD1' ' A' ' 581' ' ' ILE . 34.1 p -53.62 162.47 0.84 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.403 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 113.73 -143.81 18.01 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 612' ' ' THR . . . . . . . . . . . . . 2.0 m -114.19 126.73 55.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 0.78 . . . . 0.0 110.399 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 17.9 m -139.49 158.29 44.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.044 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 614' ' ' THR . . . . . 0.468 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 6.6 m -133.12 122.47 24.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.414 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 615' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -97.57 122.12 40.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 111.007 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 54.9 m -131.52 126.7 21.28 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.377 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.523 1.802 . . . . 0.0 111.014 179.969 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 45.1 p . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 626' ' ' ILE . . . . . 0.564 HG12 ' CE1' ' A' ' 608' ' ' PHE . 0.1 OUTLIER -123.68 129.62 74.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.1 122.27 47.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.54 147.2 39.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.406 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 110.1 140.55 8.68 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -59.84 118.52 32.84 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.492 0.76 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 631' ' ' PRO . . . . . 0.57 ' HG2' ' CD2' ' A' ' 539' ' ' TYR . 18.3 Cg_endo -75.06 156.9 42.75 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 27.0 p . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.416 1.073 . . . . 0.0 110.019 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 534' ' ' ASN . . . . . 0.436 ' HB3' ' CG2' ' A' ' 610' ' ' THR . 1.2 m-20 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.64 154.74 42.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . 0.499 ' CG2' ' HB ' ' A' ' 579' ' ' VAL . 32.7 m -121.43 113.32 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 21.0 m -103.28 121.34 42.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.356 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 538' ' ' VAL . . . . . 0.454 HG22 ' CD1' ' A' ' 577' ' ' ILE . 2.2 t -126.65 130.84 71.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 539' ' ' TYR . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 569' ' ' ALA . 2.6 m-85 -107.56 124.59 50.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 111.044 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 540' ' ' TYR . . . . . 0.598 ' CD2' ' SD ' ' A' ' 566' ' ' MET . 54.4 t80 -113.85 139.28 49.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 110.942 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 62.5 tttt -85.68 112.9 21.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 542' ' ' LYS . . . . . 0.415 ' HG3' ' CA ' ' A' ' 543' ' ' GLY . 1.8 ttpt -84.1 138.06 33.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 543' ' ' GLY . . . . . 0.415 ' CA ' ' HG3' ' A' ' 542' ' ' LYS . . . 156.84 -132.92 3.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.446 1.091 . . . . 0.0 110.977 0.048 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -120.29 -82.69 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -154.16 -48.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.246 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 546' ' ' SER . . . . . 0.478 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 33.3 p -164.36 61.04 0.85 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.012 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 547' ' ' PRO . . . . . 0.478 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.3 Cg_endo -74.98 147.61 34.27 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.482 1.78 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 548' ' ' TYR . . . . . 0.541 ' CZ ' ' HB2' ' A' ' 565' ' ' LYS . 8.1 m-85 -113.68 156.07 24.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . 0.626 ' CG1' ' CE2' ' A' ' 551' ' ' TYR . 0.2 OUTLIER -127.48 140.19 49.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 550' ' ' HIS . . . . . 0.507 ' CD2' ' HB2' ' A' ' 561' ' ' ALA . 0.8 OUTLIER -121.81 114.07 20.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.578 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 551' ' ' TYR . . . . . 0.626 ' CE2' ' CG1' ' A' ' 549' ' ' ILE . 0.2 OUTLIER -125.95 160.93 28.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 552' ' ' ARG . . . . . 0.531 ' NH2' ' HE1' ' A' ' 558' ' ' TRP . 0.0 OUTLIER -148.47 147.49 25.54 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.31 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 553' ' ' PRO . . . . . 0.481 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.4 Cg_endo -74.96 147.72 34.47 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.537 1.809 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 586' ' ' GLN . . . -78.1 63.58 3.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 142.96 39.45 0.07 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . 0.427 ' HA3' ' HG2' ' A' ' 553' ' ' PRO . . . -142.84 -93.37 0.19 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 557' ' ' SER . . . . . 0.481 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 48.4 t -178.41 -174.32 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 0.0 109.987 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 558' ' ' TRP . . . . . 0.531 ' HE1' ' NH2' ' A' ' 552' ' ' ARG . 56.7 m95 -100.55 134.92 42.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 108.009 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 87.8 m -72.45 175.61 6.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.382 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 560' ' ' ALA . . . . . 0.416 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -67.89 107.24 2.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 561' ' ' ALA . . . . . 0.508 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -70.41 134.07 86.94 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 562' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 561' ' ' ALA . 18.3 Cg_endo -75.01 147.51 89.44 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 120.981 -2.508 . . . . 0.0 110.991 0.009 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 563' ' ' GLY . . . . . 0.491 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -39.66 -99.48 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 564' ' ' VAL . . . . . 0.539 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.7 t -137.9 159.16 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.434 0.726 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 565' ' ' LYS . . . . . 0.541 ' HB2' ' CZ ' ' A' ' 548' ' ' TYR . 9.8 tptm -87.74 113.72 23.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 566' ' ' MET . . . . . 0.598 ' SD ' ' CD2' ' A' ' 540' ' ' TYR . 3.0 mtp -31.75 119.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 576' ' ' LYS . 2.8 mm-40 -87.0 118.25 26.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 110.313 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -50.27 133.14 24.23 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.461 ' HB3' ' CZ ' ' A' ' 539' ' ' TYR . . . -71.51 -144.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -122.48 4.56 9.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 571' ' ' ILE . . . . . 0.522 ' O ' ' CB ' ' A' ' 572' ' ' SER . 2.2 mm -85.01 -22.92 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 572' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 571' ' ' ILE . 1.3 t 86.75 110.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 94.15 -6.15 72.14 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -105.52 161.02 14.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 575' ' ' ALA . . . . . . . . . . . . . . . -115.5 154.58 29.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 576' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 567' ' ' GLN . 1.2 ptmm? -154.52 133.98 12.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 577' ' ' ILE . . . . . 0.547 ' O ' ' CD1' ' A' ' 577' ' ' ILE . 0.0 OUTLIER -131.62 146.64 33.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 578' ' ' THR . . . . . 0.449 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 4.3 m -128.69 128.54 44.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.378 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . 0.499 ' HB ' ' CG2' ' A' ' 536' ' ' VAL . 1.8 t -128.94 127.91 66.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -81.85 150.51 27.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.133 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 581' ' ' ILE . . . . . 0.501 ' CD1' HG21 ' A' ' 610' ' ' THR . 35.6 pt -153.02 61.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 582' ' ' GLY . . . . . 0.554 ' O ' ' CB ' ' A' ' 583' ' ' SER . . . -68.55 52.17 0.47 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 583' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' A' ' 582' ' ' GLY . 1.4 m 154.65 41.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.779 . . . . 0.0 109.934 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 584' ' ' ALA . . . . . . . . . . . . . . . -162.08 143.48 10.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.343 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.36 2.1 15.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 586' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' A' ' 554' ' ' ALA . 54.8 mt-30 -146.47 139.11 25.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . 0.471 ' CD2' ' HB2' ' A' ' 551' ' ' TYR . 6.9 tt -139.62 133.32 30.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.257 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . 0.411 ' O ' ' CA ' ' A' ' 551' ' ' TYR . 4.8 tt0 -90.15 145.73 24.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 589' ' ' ALA . . . . . 0.47 ' O ' ' ND2' ' A' ' 605' ' ' ASN . . . -143.3 135.78 27.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . 0.508 ' CB ' ' OD1' ' A' ' 605' ' ' ASN . . . -123.17 157.7 32.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 591' ' ' PHE . . . . . 0.786 ' CE1' ' CD1' ' A' ' 615' ' ' TYR . 7.4 m-85 -123.87 127.58 48.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 111.03 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -150.19 136.03 18.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . 0.472 ' OD2' ' N ' ' A' ' 593' ' ' ASP . 0.5 OUTLIER -68.49 -16.21 63.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 90.61 22.45 33.96 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -131.56 39.25 3.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 0.745 . . . . 0.0 109.344 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 69.73 22.08 6.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -114.65 77.35 1.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -98.66 134.8 41.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 108.007 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.13 . . . . 0.0 109.254 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 605' ' ' ASN . . . . . 0.508 ' OD1' ' CB ' ' A' ' 590' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 606' ' ' TYR . . . . . 0.52 ' CG ' HD11 ' A' ' 626' ' ' ILE . 4.7 m-85 -119.44 132.18 55.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -107.65 120.47 42.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 608' ' ' PHE . . . . . 0.6 ' CE1' ' CD1' ' A' ' 626' ' ' ILE . 11.2 m-85 -132.69 159.29 40.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 111.031 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 2.7 t -105.04 174.11 6.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.985 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 610' ' ' THR . . . . . 0.501 HG21 ' CD1' ' A' ' 581' ' ' ILE . 76.6 p -53.75 176.13 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.388 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 113.12 -133.09 11.07 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 612' ' ' THR . . . . . 0.472 HG23 ' CA ' ' A' ' 630' ' ' ALA . 11.9 m -130.29 129.02 42.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.76 . . . . 0.0 110.417 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.12 158.38 44.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.163 . . . . 0.0 109.974 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 614' ' ' THR . . . . . 0.444 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 58.6 m -134.16 125.04 27.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.452 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 615' ' ' TYR . . . . . 0.786 ' CD1' ' CE1' ' A' ' 591' ' ' PHE . 0.2 OUTLIER -97.82 123.34 41.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.971 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 17.6 m -112.54 123.77 33.31 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.351 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . 0.577 ' HG3' ' CE1' ' A' ' 540' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.531 1.806 . . . . 0.0 110.972 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 2.6 p . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 626' ' ' ILE . . . . . 0.6 ' CD1' ' CE1' ' A' ' 608' ' ' PHE . 0.6 OUTLIER -115.54 128.63 72.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.66 126.55 55.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 110.269 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.57 147.2 39.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.427 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 110.59 141.57 8.88 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . 0.472 ' CA ' HG23 ' A' ' 612' ' ' THR . . . -59.37 121.85 59.54 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 163.99 34.19 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.51 1.795 . . . . 0.0 110.945 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 7.0 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.012 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -147.27 156.72 43.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 1.7 t -130.2 126.61 61.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 1.8 m -103.37 122.2 44.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 110.428 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -123.5 123.46 67.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 539' ' ' TYR . . . . . 0.494 ' CD2' ' HG2' ' A' ' 631' ' ' PRO . 0.8 OUTLIER -101.44 138.96 37.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 540' ' ' TYR . . . . . 0.473 ' CE1' ' O ' ' A' ' 541' ' ' LYS . 1.6 t80 -129.74 138.14 50.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 541' ' ' LYS . . . . . 0.473 ' O ' ' CE1' ' A' ' 540' ' ' TYR . 65.7 tttt -89.94 113.07 24.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 542' ' ' LYS . . . . . 0.473 ' HA ' ' HA3' ' A' ' 543' ' ' GLY . 3.1 ttpt -86.59 140.34 29.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 543' ' ' GLY . . . . . 0.473 ' HA3' ' HA ' ' A' ' 542' ' ' LYS . . . 147.78 -134.34 5.08 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 -0.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 544' ' ' PHE . 16.4 m-85 -119.02 -123.53 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -120.65 -46.57 2.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 546' ' ' SER . . . . . 0.45 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 17.8 t -145.28 62.35 8.78 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.037 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 547' ' ' PRO . . . . . 0.45 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.1 Cg_endo -75.08 146.14 32.02 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.533 1.807 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -123.62 154.66 38.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . 0.545 HG12 ' CD2' ' A' ' 551' ' ' TYR . 0.2 OUTLIER -127.18 142.73 42.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 550' ' ' HIS . . . . . 0.418 ' CE1' ' O ' ' A' ' 559' ' ' THR . 0.8 OUTLIER -125.36 117.2 23.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.634 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 551' ' ' TYR . . . . . 0.564 ' CE2' ' CD1' ' A' ' 577' ' ' ILE . 0.3 OUTLIER -127.37 161.21 29.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.965 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 552' ' ' ARG . . . . . 0.509 ' HG3' ' N ' ' A' ' 553' ' ' PRO . 0.0 OUTLIER -143.05 152.49 58.49 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.262 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 553' ' ' PRO . . . . . 0.52 ' O ' ' C ' ' A' ' 554' ' ' ALA . 18.2 Cg_endo -75.0 153.13 41.52 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.516 1.798 . . . . 0.0 111.033 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . 0.52 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -30.06 -74.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -126.29 86.1 0.34 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.144 . . . . 0.0 111.036 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -145.67 -91.4 0.11 Allowed Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 557' ' ' SER . . . . . 0.493 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 28.9 t -165.6 -179.63 5.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 0.732 . . . . 0.0 109.997 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 558' ' ' TRP . . . . . 0.449 ' CD1' ' HD3' ' A' ' 552' ' ' ARG . 63.3 m95 -107.2 112.41 25.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 107.992 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 559' ' ' THR . . . . . 0.418 ' O ' ' CE1' ' A' ' 550' ' ' HIS . 8.9 m -45.31 171.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.387 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 560' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -68.06 107.62 2.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 561' ' ' ALA . . . . . 0.481 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -71.21 134.25 85.17 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 562' ' ' PRO . . . . . 0.519 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.4 Cg_endo -75.0 148.16 91.05 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.014 -0.034 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 563' ' ' GLY . . . . . 0.519 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -43.36 -104.07 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 564' ' ' VAL . . . . . 0.494 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.5 t -137.07 158.66 36.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.785 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 565' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 566' ' ' MET . 13.2 tmtt? -82.53 120.65 25.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 566' ' ' MET . . . . . 0.571 ' HE1' ' CZ ' ' A' ' 591' ' ' PHE . 0.0 OUTLIER -35.78 131.25 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 568' ' ' ASP . 0.6 OUTLIER -91.44 110.23 21.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.173 . . . . 0.0 110.313 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 567' ' ' GLN . 0.0 OUTLIER -37.2 146.23 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -79.78 -142.04 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -131.07 7.01 4.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 571' ' ' ILE . . . . . 0.402 HG21 ' N ' ' A' ' 572' ' ' SER . 4.5 mt -89.08 -92.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 572' ' ' SER . . . . . 0.402 ' N ' HG21 ' A' ' 571' ' ' ILE . 0.2 OUTLIER 174.62 99.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.999 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 95.65 5.3 60.15 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.491 1.119 . . . . 0.0 111.041 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -104.59 159.25 15.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 110.985 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 575' ' ' ALA . . . . . 0.455 ' CB ' ' HG2' ' A' ' 566' ' ' MET . . . -123.54 156.49 35.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 576' ' ' LYS . . . . . 0.426 ' O ' ' O ' ' A' ' 567' ' ' GLN . 0.0 OUTLIER -154.05 156.17 36.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 577' ' ' ILE . . . . . 0.564 ' CD1' ' CE2' ' A' ' 551' ' ' TYR . 0.9 OUTLIER -143.45 151.31 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.266 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 578' ' ' THR . . . . . . . . . . . . . 3.9 m -129.06 125.62 37.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.367 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . 0.464 ' CG1' HD13 ' A' ' 587' ' ' LEU . 94.8 t -130.36 135.89 59.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 580' ' ' ASP . . . . . 0.501 ' O ' ' CG2' ' A' ' 581' ' ' ILE . 6.5 t70 -84.91 150.13 25.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 581' ' ' ILE . . . . . 0.501 ' CG2' ' O ' ' A' ' 580' ' ' ASP . 24.2 pt -156.3 45.41 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -53.78 -19.96 11.63 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.35 35.98 4.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 109.945 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 584' ' ' ALA . . . . . 0.45 ' CB ' ' HB ' ' A' ' 581' ' ' ILE . . . -151.97 142.76 22.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.55 -4.49 14.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.994 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -151.43 139.15 19.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.315 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . 0.464 HD13 ' CG1' ' A' ' 579' ' ' VAL . 0.1 OUTLIER -139.76 141.59 36.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -98.83 145.12 27.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 0.0 110.321 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 589' ' ' ALA . . . . . 0.432 ' O ' ' ND2' ' A' ' 605' ' ' ASN . . . -138.09 142.02 40.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -127.89 157.7 39.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 591' ' ' PHE . . . . . 0.571 ' CZ ' ' HE1' ' A' ' 566' ' ' MET . 7.3 m-85 -122.4 127.1 49.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 17.3 p30 -139.0 158.79 43.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 24.1 p-10 -82.71 -31.66 28.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 178.99 -47.8 0.09 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.566 1.166 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 10.9 t30 170.06 77.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 175.67 -37.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 17.5 m-20 -118.43 118.94 33.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 51.3 m95 -123.25 140.88 52.56 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 107.97 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 -179.949 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 605' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 589' ' ' ALA . 4.0 t-20 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 606' ' ' TYR . . . . . 0.62 ' CB ' ' CZ ' ' A' ' 608' ' ' PHE . 12.8 m-85 -111.39 160.9 16.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 4.8 mp -109.52 119.87 40.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 608' ' ' PHE . . . . . 0.62 ' CZ ' ' CB ' ' A' ' 606' ' ' TYR . 34.1 m-85 -125.05 141.35 52.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 111.044 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 28.1 t -111.72 170.11 8.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.036 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 610' ' ' THR . . . . . 0.465 HG21 ' CD1' ' A' ' 581' ' ' ILE . 74.9 p -46.15 167.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.37 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 107.92 -150.74 16.95 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 612' ' ' THR . . . . . 0.418 ' CG2' ' HA ' ' A' ' 630' ' ' ALA . 17.6 m -114.71 135.54 54.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 0.753 . . . . 0.0 110.393 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.68 157.8 45.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 614' ' ' THR . . . . . 0.491 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 3.6 m -133.63 112.4 11.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.378 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 615' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -100.03 115.22 29.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 52.1 m -108.53 100.78 39.98 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.389 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.13 0 O-C-N 124.497 1.788 . . . . 0.0 110.991 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 6.2 p . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 626' ' ' ILE . . . . . 0.491 ' HA ' ' O ' ' A' ' 614' ' ' THR . 0.2 OUTLIER -120.82 124.0 71.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.76 122.37 46.61 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.462 1.101 . . . . 0.0 110.26 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.67 147.03 37.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.395 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 111.59 139.9 8.0 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 111.029 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . 0.418 ' HA ' ' CG2' ' A' ' 612' ' ' THR . . . -63.13 113.88 10.83 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 631' ' ' PRO . . . . . 0.494 ' HG2' ' CD2' ' A' ' 539' ' ' TYR . 18.4 Cg_endo -74.98 166.32 29.46 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.501 1.79 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 99.6 p . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.004 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 534' ' ' ASN . . . . . 0.416 ' ND2' HG23 ' A' ' 610' ' ' THR . 1.6 m-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.69 156.4 43.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . 0.487 ' CG2' ' HB ' ' A' ' 579' ' ' VAL . 13.3 m -125.02 119.27 55.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 16.3 m -100.39 121.87 42.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.345 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 1.6 t -124.89 127.76 72.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 539' ' ' TYR . . . . . 0.575 ' CE2' ' HB2' ' A' ' 569' ' ' ALA . 3.4 m-85 -107.92 130.2 55.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.965 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 540' ' ' TYR . . . . . 0.538 ' CE1' ' O ' ' A' ' 541' ' ' LYS . 1.2 t80 -125.53 138.22 53.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 541' ' ' LYS . . . . . 0.538 ' O ' ' CE1' ' A' ' 540' ' ' TYR . 12.5 tttt -89.55 114.11 25.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 542' ' ' LYS . . . . . 0.426 ' HA ' ' HA3' ' A' ' 543' ' ' GLY . 0.0 OUTLIER -103.42 143.89 32.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 543' ' ' GLY . . . . . 0.426 ' HA3' ' HA ' ' A' ' 542' ' ' LYS . . . 147.31 -119.85 1.17 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -0.009 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -106.71 -85.17 0.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 0.748 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -151.47 -51.58 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 546' ' ' SER . . . . . 0.454 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 0.6 OUTLIER -166.98 62.06 0.64 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.989 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 547' ' ' PRO . . . . . 0.454 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.3 Cg_endo -74.99 145.03 30.98 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.505 1.792 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -95.76 161.53 13.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.958 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . 0.478 HD13 ' CG ' ' A' ' 566' ' ' MET . 0.1 OUTLIER -129.89 135.2 61.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 550' ' ' HIS . . . . . 0.455 ' CD2' ' HB3' ' A' ' 561' ' ' ALA . 0.8 OUTLIER -115.23 115.0 25.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 109.565 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 551' ' ' TYR . . . . . 0.528 ' HB3' ' CB ' ' A' ' 589' ' ' ALA . 0.1 OUTLIER -126.22 160.83 29.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 552' ' ' ARG . . . . . 0.547 ' NH2' ' HE1' ' A' ' 558' ' ' TRP . 0.0 OUTLIER -143.97 140.88 17.57 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.341 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 553' ' ' PRO . . . . . 0.485 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.3 Cg_endo -74.98 138.95 23.74 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.539 1.81 . . . . 0.0 111.014 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 586' ' ' GLN . . . -69.82 60.83 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 555' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 553' ' ' PRO . . . 147.73 39.3 0.04 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.54 1.15 . . . . 0.0 111.038 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . 0.43 ' HA3' ' HG2' ' A' ' 553' ' ' PRO . . . -145.35 -93.62 0.15 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 557' ' ' SER . . . . . 0.485 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 35.9 t -177.86 -173.62 0.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 0.737 . . . . 0.0 110.02 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 558' ' ' TRP . . . . . 0.547 ' HE1' ' NH2' ' A' ' 552' ' ' ARG . 52.6 m95 -99.58 112.64 24.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 108.038 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 18.8 m -48.52 175.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 560' ' ' ALA . . . . . 0.454 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -72.37 107.0 4.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 561' ' ' ALA . . . . . 0.501 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -71.04 134.56 85.41 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 562' ' ' PRO . . . . . 0.508 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.3 Cg_endo -74.96 150.15 94.99 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.055 -2.477 . . . . 0.0 111.001 -0.017 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 563' ' ' GLY . . . . . 0.508 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -46.65 -106.61 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.424 1.078 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 564' ' ' VAL . . . . . 0.475 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.1 t -136.83 158.12 36.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 0.761 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 565' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 566' ' ' MET . 0.4 OUTLIER -82.29 120.4 25.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 566' ' ' MET . . . . . 0.478 ' CG ' HD13 ' A' ' 549' ' ' ILE . 0.0 OUTLIER -37.57 141.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 111.025 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . 0.441 ' O ' ' O ' ' A' ' 576' ' ' LYS . 0.7 OUTLIER -104.53 119.44 38.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.307 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.79 148.58 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.575 ' HB2' ' CE2' ' A' ' 539' ' ' TYR . . . -89.29 -141.58 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -132.09 9.55 4.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 571' ' ' ILE . . . . . 0.443 ' O ' ' CB ' ' A' ' 572' ' ' SER . 72.4 mt -81.68 -82.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 572' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 571' ' ' ILE . 1.5 t 163.99 92.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.993 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 93.44 6.74 62.45 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.551 1.157 . . . . 0.0 110.985 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -103.84 160.37 14.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 0.784 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 575' ' ' ALA . . . . . 0.463 ' CB ' ' SD ' ' A' ' 566' ' ' MET . . . -120.81 156.42 31.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 576' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' A' ' 567' ' ' GLN . 2.3 ptmm? -152.42 154.59 35.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 577' ' ' ILE . . . . . 0.507 HD13 ' CE2' ' A' ' 551' ' ' TYR . 0.9 OUTLIER -143.42 152.02 16.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 578' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 5.5 m -129.33 127.68 41.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.426 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . 0.487 ' HB ' ' CG2' ' A' ' 536' ' ' VAL . 2.7 t -130.38 135.38 60.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 580' ' ' ASP . . . . . 0.47 ' O ' ' CG2' ' A' ' 581' ' ' ILE . 25.3 t0 -79.15 150.74 31.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 581' ' ' ILE . . . . . 0.475 ' HB ' ' CB ' ' A' ' 584' ' ' ALA . 40.2 pt -155.3 48.75 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -45.53 -57.24 5.94 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.45 28.66 5.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 0.0 110.027 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 584' ' ' ALA . . . . . 0.475 ' CB ' ' HB ' ' A' ' 581' ' ' ILE . . . -134.21 139.7 45.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 8.4 p -111.02 -4.16 15.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 110.001 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 586' ' ' GLN . . . . . 0.502 ' O ' ' CB ' ' A' ' 554' ' ' ALA . 5.6 mt-30 -152.01 137.74 17.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . 0.4 ' CD1' HG12 ' A' ' 579' ' ' VAL . 5.3 tt -135.03 127.78 31.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . 0.46 ' O ' ' CA ' ' A' ' 551' ' ' TYR . 5.4 pm0 -89.2 143.15 27.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.321 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 589' ' ' ALA . . . . . 0.528 ' CB ' ' HB3' ' A' ' 551' ' ' TYR . . . -141.73 138.0 32.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -121.67 158.64 28.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 591' ' ' PHE . . . . . 0.798 ' CZ ' ' CD2' ' A' ' 615' ' ' TYR . 65.8 m-85 -118.64 128.45 54.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -153.39 135.71 14.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.82 -19.98 65.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 95.77 6.83 59.22 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.447 1.092 . . . . 0.0 110.96 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -131.17 63.21 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 109.333 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 49.94 50.15 18.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -142.97 71.77 1.35 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -95.55 142.07 28.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 107.971 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 20.9 t0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.975 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 606' ' ' TYR . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 608' ' ' PHE . 75.2 m-85 -130.31 142.56 50.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 6.6 mp -99.22 130.76 45.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 608' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 606' ' ' TYR . 6.8 m-85 -121.76 144.99 48.48 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 110.971 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 609' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 610' ' ' THR . 42.8 t -110.29 163.84 13.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.977 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 610' ' ' THR . . . . . 0.461 ' CG2' HD12 ' A' ' 581' ' ' ILE . 35.1 p -38.81 158.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.383 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 112.68 -156.18 15.77 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.541 1.151 . . . . 0.0 111.005 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 612' ' ' THR . . . . . 0.461 HG23 ' CB ' ' A' ' 630' ' ' ALA . 2.1 m -116.16 124.48 50.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 0.743 . . . . 0.0 110.382 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 81.5 p -132.21 157.35 44.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.989 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 614' ' ' THR . . . . . 0.451 ' CG2' ' HG3' ' A' ' 631' ' ' PRO . 5.8 m -134.14 114.51 13.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.404 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 615' ' ' TYR . . . . . 0.798 ' CD2' ' CZ ' ' A' ' 591' ' ' PHE . 54.5 t80 -97.92 113.6 25.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 60.5 m -113.69 102.23 54.59 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 110.404 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.531 1.806 . . . . 0.0 110.998 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 42.1 p . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 626' ' ' ILE . . . . . 0.411 ' HA ' ' O ' ' A' ' 614' ' ' THR . 0.0 OUTLIER -121.33 136.63 57.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.05 122.79 38.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.165 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.18 148.88 37.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.419 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 107.58 141.58 9.97 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.481 1.113 . . . . 0.0 111.04 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . 0.461 ' CB ' HG23 ' A' ' 612' ' ' THR . . . -59.6 118.15 28.9 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.451 0.736 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 631' ' ' PRO . . . . . 0.519 ' HG2' ' CD2' ' A' ' 539' ' ' TYR . 18.2 Cg_endo -75.03 155.69 42.8 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.502 1.79 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.969 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 534' ' ' ASN . . . . . 0.47 ' ND2' ' HG1' ' A' ' 610' ' ' THR . 1.1 t-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 535' ' ' LYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 580' ' ' ASP . 0.4 OUTLIER -146.05 158.92 43.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 578' ' ' THR . 0.5 OUTLIER -123.65 124.35 69.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 2.9 m -100.61 124.13 45.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.414 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 1.4 t -126.02 126.62 70.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.35 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 539' ' ' TYR . . . . . 0.553 ' CD2' ' HG2' ' A' ' 631' ' ' PRO . 2.5 m-85 -110.55 128.94 55.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 540' ' ' TYR . . . . . 0.618 ' CE1' ' O ' ' A' ' 541' ' ' LYS . 3.0 t80 -119.54 138.98 52.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 541' ' ' LYS . . . . . 0.618 ' O ' ' CE1' ' A' ' 540' ' ' TYR . 9.6 tttp -93.77 132.02 38.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 542' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 543' ' ' GLY . 0.1 OUTLIER -80.62 137.66 36.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 543' ' ' GLY . . . . . 0.431 ' N ' ' HG3' ' A' ' 542' ' ' LYS . . . 154.42 -133.13 3.75 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 -0.003 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -152.02 -82.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 0.786 . . . . 0.0 111.042 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 545' ' ' ASN . . . . . 0.556 ' O ' ' CB ' ' A' ' 546' ' ' SER . 9.7 m-80 -147.82 24.63 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 546' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' A' ' 545' ' ' ASN . 1.2 m 90.13 72.16 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.992 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 149.52 36.55 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 548' ' ' TYR . . . . . 0.49 ' CE2' ' HB2' ' A' ' 565' ' ' LYS . 7.8 m-85 -91.6 156.93 17.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . 0.523 ' CG2' ' O ' ' A' ' 590' ' ' ALA . 3.7 mt -126.34 144.96 34.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 550' ' ' HIS . . . . . 0.475 ' N ' HG21 ' A' ' 549' ' ' ILE . 2.9 t60 -129.33 116.36 18.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.593 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 551' ' ' TYR . . . . . 0.425 ' CA ' ' O ' ' A' ' 588' ' ' GLU . 0.1 OUTLIER -125.73 159.19 32.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.959 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 552' ' ' ARG . . . . . 0.571 ' NE ' ' CD1' ' A' ' 558' ' ' TRP . 4.4 ttm180 -137.71 132.0 17.27 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 553' ' ' PRO . . . . . 0.567 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.2 Cg_endo -75.01 159.6 41.13 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.458 1.767 . . . . 0.0 110.96 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -45.22 -26.77 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 555' ' ' GLY . . . . . 0.418 ' N ' ' C ' ' A' ' 553' ' ' PRO . . . -60.28 -19.29 52.1 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.442 1.089 . . . . 0.0 111.039 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . 0.496 ' O ' ' NH2' ' A' ' 552' ' ' ARG . . . 82.13 40.87 9.86 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 557' ' ' SER . . . . . 0.567 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 0.0 OUTLIER -110.15 137.73 47.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 110.021 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 558' ' ' TRP . . . . . 0.571 ' CD1' ' NE ' ' A' ' 552' ' ' ARG . 92.5 m95 -120.37 102.54 8.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 108.026 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 559' ' ' THR . . . . . 0.423 ' O ' ' O ' ' A' ' 558' ' ' TRP . 32.3 m -45.12 171.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 110.375 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 560' ' ' ALA . . . . . 0.448 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -61.24 107.63 0.79 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 561' ' ' ALA . . . . . 0.49 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -64.07 132.28 95.24 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 562' ' ' PRO . . . . . 0.56 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.4 Cg_endo -75.0 145.22 83.34 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 120.989 -2.505 . . . . 0.0 111.016 -0.049 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 563' ' ' GLY . . . . . 0.56 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -32.06 -99.88 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 564' ' ' VAL . . . . . 0.424 ' HB ' ' OH ' ' A' ' 551' ' ' TYR . 1.3 t -137.82 157.6 32.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 565' ' ' LYS . . . . . 0.49 ' HB2' ' CE2' ' A' ' 548' ' ' TYR . 0.1 OUTLIER -89.71 107.1 18.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 566' ' ' MET . . . . . 0.479 ' CE ' ' CD1' ' A' ' 549' ' ' ILE . 0.0 OUTLIER -33.12 137.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.81 127.05 52.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.78 149.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -87.39 -136.91 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -132.28 7.48 4.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 571' ' ' ILE . . . . . . . . . . . . . 4.6 mm -84.04 -85.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 169.37 97.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.978 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 88.82 8.18 70.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.89 159.65 15.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 575' ' ' ALA . . . . . . . . . . . . . . . -115.47 152.72 32.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -152.67 133.97 14.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 577' ' ' ILE . . . . . 0.583 ' C ' ' CD1' ' A' ' 577' ' ' ILE . 0.2 OUTLIER -134.17 152.22 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 578' ' ' THR . . . . . 0.488 ' N ' ' CD1' ' A' ' 577' ' ' ILE . 30.1 m -126.45 136.08 52.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.376 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . 0.417 ' CG2' HD12 ' A' ' 577' ' ' ILE . 42.1 t -132.13 128.19 58.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 580' ' ' ASP . . . . . 0.532 ' O ' ' CG2' ' A' ' 581' ' ' ILE . 0.2 OUTLIER -86.29 148.86 25.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 581' ' ' ILE . . . . . 0.532 ' CG2' ' O ' ' A' ' 580' ' ' ASP . 44.2 pt -157.53 50.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -54.06 -22.57 21.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.542 1.151 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.37 36.87 4.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 0.775 . . . . 0.0 110.024 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 584' ' ' ALA . . . . . 0.418 ' CB ' ' HB ' ' A' ' 581' ' ' ILE . . . -160.25 142.29 12.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.04 0.41 15.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.994 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -147.63 138.67 23.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 110.314 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . 0.431 HD11 ' CA ' ' A' ' 553' ' ' PRO . 0.5 OUTLIER -144.22 130.25 19.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . 0.451 ' HA ' ' O ' ' A' ' 606' ' ' TYR . 2.0 pm0 -89.93 145.05 25.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 589' ' ' ALA . . . . . 0.41 ' HA ' ' HA ' ' A' ' 551' ' ' TYR . . . -134.9 149.34 50.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . 0.523 ' O ' ' CG2' ' A' ' 549' ' ' ILE . . . -137.28 157.45 46.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 591' ' ' PHE . . . . . 0.733 ' CD2' ' CZ ' ' A' ' 615' ' ' TYR . 1.3 m-85 -122.75 127.99 49.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -148.13 136.25 21.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -25.92 64.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 95.98 33.51 6.3 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.466 1.104 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 44.8 p-10 -149.93 40.3 0.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 109.34 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 39.4 t30 72.59 34.53 1.22 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -129.9 69.22 1.43 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 13.8 m95 -90.96 149.76 21.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 108.024 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 2.9 t70 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.297 179.97 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 2.7 m120 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 606' ' ' TYR . . . . . 0.589 ' HB2' ' CZ ' ' A' ' 608' ' ' PHE . 97.2 m-85 -107.21 163.82 12.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . 0.435 ' N ' ' CD2' ' A' ' 607' ' ' LEU . 0.0 OUTLIER -115.2 122.39 45.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 608' ' ' PHE . . . . . 0.679 ' CE1' ' CD1' ' A' ' 626' ' ' ILE . 9.0 m-85 -126.21 146.01 50.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 32.2 t -111.76 166.2 11.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.044 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 610' ' ' THR . . . . . 0.485 HG21 ' CD1' ' A' ' 581' ' ' ILE . 40.8 p -50.34 166.01 0.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 110.433 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 115.88 -155.0 16.54 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.106 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 612' ' ' THR . . . . . 0.488 ' CG2' ' HA ' ' A' ' 630' ' ' ALA . 36.7 m -112.19 127.64 56.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 0.753 . . . . 0.0 110.384 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 1.4 t -142.52 157.77 44.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 614' ' ' THR . . . . . 0.427 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 20.6 m -133.51 118.43 18.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.143 . . . . 0.0 110.407 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 615' ' ' TYR . . . . . 0.733 ' CZ ' ' CD2' ' A' ' 591' ' ' PHE . 0.1 OUTLIER -99.02 113.46 25.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.972 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 52.6 m -110.53 108.14 58.27 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.351 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 179.951 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 21.4 p . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 626' ' ' ILE . . . . . 0.679 ' CD1' ' CE1' ' A' ' 608' ' ' PHE . 0.2 OUTLIER -114.56 132.09 64.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.352 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -115.81 121.44 42.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.29 146.67 36.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 110.406 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 109.25 140.94 9.11 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . 0.488 ' HA ' ' CG2' ' A' ' 612' ' ' THR . . . -59.66 120.31 48.15 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 631' ' ' PRO . . . . . 0.553 ' HG2' ' CD2' ' A' ' 539' ' ' TYR . 18.4 Cg_endo -75.04 154.77 42.52 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.521 1.801 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 23.6 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.011 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 535' ' ' LYS . . . . . 0.45 ' HD2' ' CG2' ' A' ' 578' ' ' THR . 15.3 mtmt -147.0 142.88 27.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . 0.445 ' O ' ' HA ' ' A' ' 578' ' ' THR . 2.2 t -116.29 131.05 69.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 80.0 m -101.24 122.02 42.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.396 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -125.47 124.39 66.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 539' ' ' TYR . . . . . 0.524 ' CZ ' ' HB2' ' A' ' 569' ' ' ALA . 0.5 OUTLIER -112.88 124.53 52.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 111.052 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 540' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -121.56 139.7 53.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 3.0 tttm -92.73 112.89 25.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 542' ' ' LYS . . . . . 0.47 ' HA ' ' HA3' ' A' ' 543' ' ' GLY . 7.4 ttpt -86.01 143.38 28.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 543' ' ' GLY . . . . . 0.47 ' HA3' ' HA ' ' A' ' 542' ' ' LYS . . . 140.97 -125.66 2.88 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.521 1.138 . . . . 0.0 110.955 -0.104 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . 0.545 ' CD1' ' HG3' ' A' ' 547' ' ' PRO . 4.1 m-85 -116.36 -125.15 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.749 . . . . 0.0 111.035 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -106.72 -51.43 2.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 546' ' ' SER . . . . . 0.427 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 41.2 m -171.32 63.6 0.38 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.023 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 547' ' ' PRO . . . . . 0.545 ' HG3' ' CD1' ' A' ' 544' ' ' PHE . 18.5 Cg_endo -74.97 146.42 32.76 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 548' ' ' TYR . . . . . 0.56 ' CE2' ' HG3' ' A' ' 565' ' ' LYS . 1.8 m-85 -95.98 161.1 14.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . 0.588 HG12 ' CE2' ' A' ' 551' ' ' TYR . 0.8 OUTLIER -124.28 142.68 40.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.26 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 550' ' ' HIS . . . . . 0.46 ' CD2' ' HB1' ' A' ' 561' ' ' ALA . 2.2 t60 -130.34 117.35 19.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.613 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 551' ' ' TYR . . . . . 0.588 ' CE2' HG12 ' A' ' 549' ' ' ILE . 0.1 OUTLIER -120.32 160.06 23.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 552' ' ' ARG . . . . . 0.574 ' HD3' ' CD1' ' A' ' 558' ' ' TRP . 1.2 ttp85 -133.49 135.33 24.98 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.324 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 553' ' ' PRO . . . . . 0.507 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.2 Cg_endo -74.98 153.16 41.7 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.484 1.781 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -48.38 -24.29 1.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.246 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -53.05 -20.02 8.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.465 1.103 . . . . 0.0 111.031 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 89.1 21.98 40.01 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 557' ' ' SER . . . . . 0.545 ' O ' ' CG ' ' A' ' 552' ' ' ARG . 0.1 OUTLIER -103.75 169.62 8.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 0.786 . . . . 0.0 110.006 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 558' ' ' TRP . . . . . 0.574 ' CD1' ' HD3' ' A' ' 552' ' ' ARG . 87.9 m95 -135.95 117.95 15.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 107.992 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 84.8 m -59.37 169.96 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.419 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -56.89 108.47 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.264 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 561' ' ' ALA . . . . . 0.482 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -78.18 132.59 66.32 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 562' ' ' PRO . . . . . 0.491 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.1 Cg_endo -75.06 145.23 83.29 Favored 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 120.989 -2.504 . . . . 0.0 110.969 0.085 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 563' ' ' GLY . . . . . 0.491 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -38.3 -99.23 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.52 1.138 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 564' ' ' VAL . . . . . 0.532 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 2.2 t -137.31 159.13 35.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 0.78 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 565' ' ' LYS . . . . . 0.56 ' HG3' ' CE2' ' A' ' 548' ' ' TYR . 0.0 OUTLIER -84.93 112.8 20.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 566' ' ' MET . . . . . 0.468 ' HG2' ' CG2' ' A' ' 549' ' ' ILE . 0.0 OUTLIER -35.43 133.3 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 111.04 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . 0.438 ' O ' ' O ' ' A' ' 576' ' ' LYS . 19.0 mt-30 -100.51 115.0 29.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 567' ' ' GLN . 0.3 OUTLIER -39.22 149.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 539' ' ' TYR . . . -82.33 -146.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -124.15 3.18 8.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 571' ' ' ILE . . . . . . . . . . . . . 76.0 mt -82.65 -93.66 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 5.8 t 177.9 94.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.011 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 96.03 9.73 56.87 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -103.98 158.51 16.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 575' ' ' ALA . . . . . . . . . . . . . . . -116.71 152.19 34.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 576' ' ' LYS . . . . . 0.438 ' O ' ' O ' ' A' ' 567' ' ' GLN . 0.0 OUTLIER -152.04 128.98 10.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 577' ' ' ILE . . . . . 0.58 ' C ' ' CD1' ' A' ' 577' ' ' ILE . 0.2 OUTLIER -131.33 152.23 36.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 578' ' ' THR . . . . . 0.471 ' N ' ' CD1' ' A' ' 577' ' ' ILE . 65.6 m -115.8 141.75 47.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.37 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . 0.487 HG13 ' CD1' ' A' ' 587' ' ' LEU . 82.8 t -130.83 119.25 44.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.38 125.76 31.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 581' ' ' ILE . . . . . 0.477 ' CD1' HG21 ' A' ' 610' ' ' THR . 37.1 pt -137.36 49.18 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -55.0 -20.8 21.6 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.556 1.16 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.86 39.47 3.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 0.767 . . . . 0.0 110.038 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 584' ' ' ALA . . . . . 0.401 ' CB ' ' HB ' ' A' ' 581' ' ' ILE . . . -153.55 143.9 22.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 93.2 p -111.56 -3.53 15.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 110.036 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -151.33 138.49 19.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . 0.487 ' CD1' HG13 ' A' ' 579' ' ' VAL . 5.8 tt -146.83 126.57 13.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . 0.493 ' OE2' ' CZ ' ' A' ' 552' ' ' ARG . 1.5 pm0 -91.42 144.18 25.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 110.28 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 589' ' ' ALA . . . . . 0.442 ' HA ' ' HA ' ' A' ' 551' ' ' TYR . . . -133.55 134.76 43.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -119.53 164.0 16.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 591' ' ' PHE . . . . . 0.816 ' CE1' ' CD2' ' A' ' 615' ' ' TYR . 35.0 m-85 -122.4 127.3 49.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -141.75 136.37 30.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.249 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -54.14 -43.3 70.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 594' ' ' GLY . . . . . 0.48 ' O ' ' CB ' ' A' ' 595' ' ' ASN . . . 170.79 39.56 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 595' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 594' ' ' GLY . 12.8 t-20 80.48 84.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 0.753 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 596' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' A' ' 595' ' ' ASN . 1.2 m-20 160.38 -27.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -138.95 90.25 2.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 26.1 m95 -97.15 142.7 28.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.122 . . . . 0.0 108.003 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 3.3 t0 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.353 179.968 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 605' ' ' ASN . . . . . 0.479 ' H ' ' ND2' ' A' ' 605' ' ' ASN . 2.8 m-80 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 606' ' ' TYR . . . . . 0.601 ' CB ' ' CZ ' ' A' ' 608' ' ' PHE . 42.7 m-85 -110.07 163.13 13.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . 0.569 ' CD1' ' N ' ' A' ' 607' ' ' LEU . 0.0 OUTLIER -119.2 121.45 39.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 608' ' ' PHE . . . . . 0.601 ' CZ ' ' CB ' ' A' ' 606' ' ' TYR . 11.8 m-85 -127.28 143.47 51.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 9.9 t -112.15 169.35 8.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.962 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 610' ' ' THR . . . . . 0.477 HG21 ' CD1' ' A' ' 581' ' ' ILE . 44.9 p -42.57 164.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.423 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 110.78 -145.86 17.47 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 612' ' ' THR . . . . . . . . . . . . . 25.3 m -121.3 134.58 55.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 0.756 . . . . 0.0 110.408 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 10.0 m -142.23 157.54 44.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.016 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 614' ' ' THR . . . . . 0.445 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 7.2 m -132.99 115.01 14.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.399 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 615' ' ' TYR . . . . . 0.816 ' CD2' ' CE1' ' A' ' 591' ' ' PHE . 90.0 t80 -97.36 114.01 25.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.528 1.143 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 85.8 m -120.13 99.5 48.56 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.332 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.192 0 O-C-N 124.485 1.782 . . . . 0.0 110.983 179.935 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 14.7 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.431 -0.211 . . . . 0.0 110.431 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 626' ' ' ILE . . . . . 0.445 ' HA ' ' O ' ' A' ' 614' ' ' THR . 0.1 OUTLIER -117.98 135.84 57.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.26 122.84 40.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.08 147.22 38.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.378 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 109.3 140.82 9.05 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -59.71 118.69 33.99 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.46 0.741 . . . . 0.0 109.316 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 172.91 15.45 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.505 1.792 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.922 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 534' ' ' ASN . . . . . 0.455 ' HB3' ' CG2' ' A' ' 610' ' ' THR . 1.1 t-20 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 535' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 579' ' ' VAL . 10.8 mtmm -144.94 152.64 40.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . 0.503 ' CG2' ' HB ' ' A' ' 579' ' ' VAL . 34.1 m -119.55 115.03 46.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 90.0 m -100.82 121.22 41.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.382 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 3.8 t -127.5 135.56 62.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 539' ' ' TYR . . . . . 0.543 ' CE1' ' HB2' ' A' ' 576' ' ' LYS . 4.2 m-85 -109.63 134.22 52.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 540' ' ' TYR . . . . . 0.581 ' CD1' ' CE2' ' A' ' 615' ' ' TYR . 1.8 t80 -118.58 139.24 51.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.412 1.07 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 541' ' ' LYS . . . . . 0.471 ' O ' ' CE1' ' A' ' 540' ' ' TYR . 0.1 OUTLIER -93.32 113.92 26.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 542' ' ' LYS . . . . . 0.497 ' HG3' ' CA ' ' A' ' 543' ' ' GLY . 6.7 ttpt -93.93 142.01 27.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.351 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 543' ' ' GLY . . . . . 0.497 ' CA ' ' HG3' ' A' ' 542' ' ' LYS . . . 143.38 -131.33 4.47 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.538 1.148 . . . . 0.0 110.959 -0.024 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . 0.518 ' CD1' ' N ' ' A' ' 544' ' ' PHE . 3.6 m-85 -118.03 -137.4 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.765 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 545' ' ' ASN . . . . . 0.437 ' H ' ' ND2' ' A' ' 545' ' ' ASN . 1.0 OUTLIER -103.98 -49.04 3.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 41.3 m -139.55 68.45 38.13 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.988 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 141.67 26.87 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.482 1.78 . . . . 0.0 110.979 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 548' ' ' TYR . . . . . 0.52 ' CZ ' ' HB2' ' A' ' 565' ' ' LYS . 1.4 m-85 -124.72 150.57 46.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 110.959 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . 0.515 ' CG2' ' O ' ' A' ' 590' ' ' ALA . 3.6 mt -126.3 144.72 35.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 550' ' ' HIS . . . . . 0.566 ' CD2' ' HB1' ' A' ' 561' ' ' ALA . 1.5 t60 -124.9 115.19 20.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.583 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 551' ' ' TYR . . . . . 0.545 ' CE2' HD12 ' A' ' 577' ' ' ILE . 0.1 OUTLIER -125.84 158.42 35.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 552' ' ' ARG . . . . . 0.536 ' CG ' ' O ' ' A' ' 557' ' ' SER . 0.0 OUTLIER -135.72 133.48 20.12 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.343 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 553' ' ' PRO . . . . . 0.544 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.2 Cg_endo -75.02 155.79 42.84 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.51 1.795 . . . . 0.0 110.972 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . 0.466 ' HB2' ' CB ' ' A' ' 584' ' ' ALA . . . -40.31 -30.05 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 555' ' ' GLY . . . . . 0.438 ' N ' ' C ' ' A' ' 553' ' ' PRO . . . -52.41 -23.0 11.85 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.496 1.122 . . . . 0.0 111.039 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 86.11 27.82 29.98 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 557' ' ' SER . . . . . 0.544 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 0.3 OUTLIER -100.63 140.2 35.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 0.728 . . . . 0.0 109.975 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 558' ' ' TRP . . . . . 0.535 ' CD2' ' HB2' ' A' ' 552' ' ' ARG . 90.6 m95 -122.4 97.46 5.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 108.001 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 559' ' ' THR . . . . . 0.487 ' CG2' ' N ' ' A' ' 560' ' ' ALA . 1.4 m -46.01 169.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.424 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 560' ' ' ALA . . . . . 0.487 ' N ' ' CG2' ' A' ' 559' ' ' THR . . . -55.33 109.68 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 561' ' ' ALA . . . . . 0.566 ' HB1' ' CD2' ' A' ' 550' ' ' HIS . . . -68.27 132.47 91.62 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 562' ' ' PRO . . . . . 0.498 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.3 Cg_endo -75.02 143.66 78.49 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 121.023 -2.49 . . . . 0.0 110.983 0.002 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 563' ' ' GLY . . . . . 0.498 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -35.11 -98.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.477 1.111 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 2.1 t -137.11 158.55 36.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 565' ' ' LYS . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 548' ' ' TYR . 1.2 ttpp -89.11 110.42 21.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 566' ' ' MET . . . . . 0.5 ' HG3' ' CD1' ' A' ' 549' ' ' ILE . 0.0 OUTLIER -36.25 141.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.98 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -105.79 133.84 49.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.29 150.01 0.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.473 ' CB ' ' HB3' ' A' ' 576' ' ' LYS . . . -94.89 -142.87 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.242 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -125.91 10.45 7.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 571' ' ' ILE . . . . . 0.428 ' O ' ' CB ' ' A' ' 572' ' ' SER . 17.4 mm -83.18 -83.4 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 572' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' A' ' 571' ' ' ILE . 0.6 OUTLIER 165.15 95.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 89.0 7.97 69.69 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -107.2 161.02 15.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 110.989 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 575' ' ' ALA . . . . . . . . . . . . . . . -115.72 154.99 28.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 576' ' ' LYS . . . . . 0.543 ' HB2' ' CE1' ' A' ' 539' ' ' TYR . 0.0 OUTLIER -154.2 138.42 16.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 577' ' ' ILE . . . . . 0.545 HD12 ' CE2' ' A' ' 551' ' ' TYR . 0.8 OUTLIER -134.71 152.08 32.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 578' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 4.9 m -128.89 129.13 45.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.421 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . 0.503 ' HB ' ' CG2' ' A' ' 536' ' ' VAL . 2.2 t -127.61 130.86 70.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 580' ' ' ASP . . . . . 0.421 ' HA ' ' O ' ' A' ' 534' ' ' ASN . 21.7 t70 -78.72 149.38 32.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 581' ' ' ILE . . . . . 0.471 HD12 ' CG1' ' A' ' 536' ' ' VAL . 40.3 pt -151.48 48.68 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -50.85 -29.81 20.38 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.89 36.69 4.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 0.737 . . . . 0.0 110.048 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 584' ' ' ALA . . . . . 0.466 ' CB ' ' HB2' ' A' ' 554' ' ' ALA . . . -151.96 139.46 19.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 51.2 m -116.67 6.25 13.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.011 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 586' ' ' GLN . . . . . 0.487 ' HB3' ' CG ' ' A' ' 607' ' ' LEU . 72.4 mt-30 -149.79 139.08 21.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 110.319 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 5.9 tt -141.36 128.0 20.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . 0.481 ' CG ' ' HB2' ' A' ' 605' ' ' ASN . 1.5 tt0 -89.68 146.67 24.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 589' ' ' ALA . . . . . . . . . . . . . . . -138.98 146.89 41.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . 0.515 ' O ' ' CG2' ' A' ' 549' ' ' ILE . . . -137.81 153.81 49.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 591' ' ' PHE . . . . . 0.804 ' CE2' ' CD1' ' A' ' 615' ' ' TYR . 1.6 m-85 -115.94 127.56 55.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 592' ' ' ASN . . . . . 0.559 ' HB3' ' CE3' ' A' ' 598' ' ' TRP . 2.5 p30 -149.05 136.34 20.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -56.91 -53.87 53.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 594' ' ' GLY . . . . . 0.509 ' O ' ' CB ' ' A' ' 595' ' ' ASN . . . 178.37 38.38 0.06 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 595' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' A' ' 594' ' ' GLY . 8.8 t-20 82.42 86.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 596' ' ' ASN . . . . . 0.481 ' CB ' ' O ' ' A' ' 595' ' ' ASN . 2.8 m-20 157.44 -25.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -140.18 86.79 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.268 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 598' ' ' TRP . . . . . 0.559 ' CE3' ' HB3' ' A' ' 592' ' ' ASN . 39.2 m95 -96.85 124.17 40.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 108.036 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 605' ' ' ASN . . . . . 0.481 ' HB2' ' CG ' ' A' ' 588' ' ' GLU . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 606' ' ' TYR . . . . . 0.471 ' CB ' HD12 ' A' ' 626' ' ' ILE . 28.5 m-85 -129.87 130.48 45.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . 0.487 ' CG ' ' HB3' ' A' ' 586' ' ' GLN . 5.8 tt -114.17 132.98 55.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 608' ' ' PHE . . . . . 0.577 ' CZ ' ' HB ' ' A' ' 626' ' ' ILE . 25.9 m-85 -144.5 159.39 42.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 111.039 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 609' ' ' SER . . . . . 0.423 ' O ' ' O ' ' A' ' 610' ' ' THR . 19.3 t -110.68 174.22 5.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.026 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 610' ' ' THR . . . . . 0.455 ' CG2' ' HB3' ' A' ' 534' ' ' ASN . 24.2 p -37.39 156.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.386 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 122.03 -162.92 15.62 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.537 1.148 . . . . 0.0 111.031 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 612' ' ' THR . . . . . . . . . . . . . 2.1 m -111.2 125.93 54.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 0.724 . . . . 0.0 110.379 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.74 156.41 48.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.971 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 614' ' ' THR . . . . . 0.473 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 5.7 m -134.9 118.28 16.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.405 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 615' ' ' TYR . . . . . 0.804 ' CD1' ' CE2' ' A' ' 591' ' ' PHE . 0.0 OUTLIER -96.32 120.01 35.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.972 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 59.6 m -120.89 112.92 33.29 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.398 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.128 0 O-C-N 124.56 1.821 . . . . 0.0 110.98 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 33.5 p . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 626' ' ' ILE . . . . . 0.577 ' HB ' ' CZ ' ' A' ' 608' ' ' PHE . 0.8 OUTLIER -120.62 128.51 76.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.49 131.32 55.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.26 147.31 38.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.389 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 112.51 140.61 7.95 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.491 1.119 . . . . 0.0 111.038 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -59.85 123.36 71.45 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.517 0.775 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 163.79 34.68 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.497 1.788 . . . . 0.0 111.025 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 33.3 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.005 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 534' ' ' ASN . . . . . 0.408 ' OD1' ' N ' ' A' ' 534' ' ' ASN . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -142.48 141.72 32.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . 0.502 ' CG2' ' HB ' ' A' ' 579' ' ' VAL . 25.8 m -114.73 114.8 47.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 24.3 m -100.68 124.23 45.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.379 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 21.6 t -125.54 140.92 46.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 539' ' ' TYR . . . . . 0.556 ' CE2' ' HB1' ' A' ' 569' ' ' ALA . 4.4 m-85 -111.87 134.17 53.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 540' ' ' TYR . . . . . 0.568 ' CE2' ' HG3' ' A' ' 617' ' ' PRO . 29.5 t80 -118.25 138.86 52.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -90.69 127.39 36.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.25 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 542' ' ' LYS . . . . . 0.413 ' HA ' ' HA3' ' A' ' 543' ' ' GLY . 0.2 OUTLIER -80.18 136.51 36.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.355 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 543' ' ' GLY . . . . . 0.413 ' HA3' ' HA ' ' A' ' 542' ' ' LYS . . . 157.42 -154.41 25.51 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 0.046 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -124.23 -76.56 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 0.0 110.984 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -156.66 -48.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 546' ' ' SER . . . . . 0.448 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 34.8 p -174.4 62.58 0.25 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.992 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 547' ' ' PRO . . . . . 0.448 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.2 Cg_endo -75.0 148.37 35.18 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.528 1.804 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 548' ' ' TYR . . . . . 0.404 ' CZ ' ' HB2' ' A' ' 565' ' ' LYS . 6.8 m-85 -105.17 160.79 14.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . 0.59 HG12 ' CE2' ' A' ' 551' ' ' TYR . 0.2 OUTLIER -130.26 143.5 40.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 550' ' ' HIS . . . . . 0.409 ' N ' HG13 ' A' ' 549' ' ' ILE . 0.7 OUTLIER -127.43 117.78 22.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.586 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 551' ' ' TYR . . . . . 0.59 ' CE2' HG12 ' A' ' 549' ' ' ILE . 0.2 OUTLIER -127.9 159.93 33.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 111.032 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 552' ' ' ARG . . . . . 0.578 ' HD3' ' CD1' ' A' ' 558' ' ' TRP . 0.3 OUTLIER -143.88 151.54 53.16 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.339 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 553' ' ' PRO . . . . . 0.511 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.2 Cg_endo -75.01 155.97 42.92 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.472 1.775 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . 0.475 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -33.65 -73.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -126.12 85.98 0.35 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -146.43 -90.95 0.1 Allowed Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 557' ' ' SER . . . . . 0.511 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 30.2 t -167.19 -179.17 4.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 0.783 . . . . 0.0 109.997 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 558' ' ' TRP . . . . . 0.578 ' CD1' ' HD3' ' A' ' 552' ' ' ARG . 62.9 m95 -108.55 117.37 33.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 108.06 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 559' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 558' ' ' TRP . 6.3 m -47.15 174.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.42 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 560' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -72.22 107.66 4.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 561' ' ' ALA . . . . . 0.503 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -69.37 134.38 88.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 562' ' ' PRO . . . . . 0.552 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.2 Cg_endo -75.02 147.52 89.46 Favored 'Cis proline' 0 C--N 1.361 1.219 0 C-N-CA 120.978 -2.509 . . . . 0.0 110.96 0.038 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 563' ' ' GLY . . . . . 0.552 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -39.9 -103.25 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 564' ' ' VAL . . . . . 0.511 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.9 t -137.04 158.67 36.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.449 0.735 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 565' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 566' ' ' MET . 0.0 OUTLIER -89.43 109.74 20.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 566' ' ' MET . . . . . 0.477 ' HG2' ' CG2' ' A' ' 549' ' ' ILE . 0.0 OUTLIER -35.11 131.06 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -102.59 127.98 49.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.307 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.43 149.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.556 ' HB1' ' CE2' ' A' ' 539' ' ' TYR . . . -88.05 -143.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -124.96 8.72 8.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.344 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 571' ' ' ILE . . . . . 0.415 HG22 ' N ' ' A' ' 572' ' ' SER . 10.7 mm -84.5 -94.18 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 572' ' ' SER . . . . . 0.415 ' N ' HG22 ' A' ' 571' ' ' ILE . 0.1 OUTLIER 175.78 94.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 110.016 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 94.21 6.81 61.28 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -104.41 160.66 14.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 111.017 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 575' ' ' ALA . . . . . . . . . . . . . . . -115.79 155.5 27.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 576' ' ' LYS . . . . . 0.46 ' CD ' ' HA ' ' A' ' 569' ' ' ALA . 0.0 OUTLIER -151.94 138.95 19.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 0.0 109.366 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 577' ' ' ILE . . . . . 0.584 ' C ' ' CD1' ' A' ' 577' ' ' ILE . 0.2 OUTLIER -141.89 151.64 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 578' ' ' THR . . . . . 0.485 ' N ' ' CD1' ' A' ' 577' ' ' ILE . 29.4 m -128.43 135.85 50.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 110.41 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . 0.57 HG23 ' CE1' ' A' ' 551' ' ' TYR . 54.2 t -132.06 119.67 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 580' ' ' ASP . . . . . 0.406 ' HA ' ' O ' ' A' ' 534' ' ' ASN . 0.0 OUTLIER -82.1 125.48 30.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 581' ' ' ILE . . . . . 0.493 ' CD1' ' O ' ' A' ' 584' ' ' ALA . 6.8 pt -99.5 -56.47 5.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 582' ' ' GLY . . . . . 0.534 ' O ' ' CB ' ' A' ' 583' ' ' SER . . . 58.1 98.18 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.484 1.115 . . . . 0.0 110.963 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 583' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 582' ' ' GLY . 1.2 t 87.7 23.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 0.73 . . . . 0.0 110.014 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 584' ' ' ALA . . . . . 0.493 ' O ' ' CD1' ' A' ' 581' ' ' ILE . . . -135.75 143.34 45.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 89.8 p -114.79 1.09 14.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.988 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -151.27 138.43 19.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 110.271 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . 0.451 HD12 ' CG1' ' A' ' 579' ' ' VAL . 0.3 OUTLIER -144.0 133.78 23.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 606' ' ' TYR . 1.9 pm0 -92.65 142.09 27.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 589' ' ' ALA . . . . . 0.404 ' CB ' ' HB3' ' A' ' 551' ' ' TYR . . . -139.05 135.24 34.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -121.25 158.03 28.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 0.0 109.345 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 591' ' ' PHE . . . . . 0.765 ' CZ ' ' CG ' ' A' ' 615' ' ' TYR . 40.0 m-85 -125.58 127.75 46.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 592' ' ' ASN . . . . . 0.513 ' HB3' ' CD2' ' A' ' 598' ' ' TRP . 9.0 p30 -151.02 143.9 24.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.6 -16.35 61.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.358 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 94.25 26.53 13.81 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 595' ' ' ASN . . . . . 0.441 ' C ' ' N ' ' A' ' 597' ' ' ASN . 0.7 OUTLIER -154.4 77.96 1.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 0.777 . . . . 0.0 109.251 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 41.92 28.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 597' ' ' ASN . . . . . 0.441 ' N ' ' C ' ' A' ' 595' ' ' ASN . 7.6 m-20 -122.79 76.25 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 598' ' ' TRP . . . . . 0.513 ' CD2' ' HB3' ' A' ' 592' ' ' ASN . 34.5 m95 -104.05 153.38 20.94 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 606' ' ' TYR . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 608' ' ' PHE . 85.2 m-85 -112.96 162.5 15.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 1.9 mp -114.48 122.64 47.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 608' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 606' ' ' TYR . 14.0 m-85 -127.64 148.8 50.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 2.3 t -111.37 167.61 10.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.961 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 610' ' ' THR . . . . . 0.483 ' HA ' ' CG1' ' A' ' 536' ' ' VAL . 45.0 p -54.04 173.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 110.425 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 102.28 -142.48 15.61 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 612' ' ' THR . . . . . 0.47 ' CG2' ' HA ' ' A' ' 630' ' ' ALA . 55.5 m -114.3 131.75 56.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 110.35 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -142.94 157.44 44.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.979 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 614' ' ' THR . . . . . 0.506 ' O ' ' CG2' ' A' ' 626' ' ' ILE . 10.8 m -133.92 131.96 39.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.373 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 615' ' ' TYR . . . . . 0.765 ' CG ' ' CZ ' ' A' ' 591' ' ' PHE . 4.2 t80 -115.83 119.73 36.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 110.953 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 30.3 m -112.61 112.12 51.39 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.429 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . 0.568 ' HG3' ' CE2' ' A' ' 540' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.181 0 O-C-N 124.509 1.794 . . . . 0.0 110.982 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 10.3 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 626' ' ' ILE . . . . . 0.506 ' CG2' ' O ' ' A' ' 614' ' ' THR . 0.2 OUTLIER -120.43 125.1 73.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -107.55 122.4 46.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.23 151.01 36.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 110.387 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 102.85 141.78 11.75 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.573 1.171 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . 0.47 ' HA ' ' CG2' ' A' ' 612' ' ' THR . . . -59.45 118.56 31.98 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.452 0.736 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 631' ' ' PRO . . . . . 0.431 ' HG3' ' CG2' ' A' ' 614' ' ' THR . 18.2 Cg_endo -75.08 153.53 41.46 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.48 1.779 . . . . 0.0 111.001 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.045 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 534' ' ' ASN . . . . . 0.499 ' C ' ' CD ' ' A' ' 535' ' ' LYS . 2.1 m-20 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 535' ' ' LYS . . . . . 0.499 ' CD ' ' C ' ' A' ' 534' ' ' ASN . 0.1 OUTLIER -148.73 149.51 31.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . 0.513 ' CG2' ' HB ' ' A' ' 579' ' ' VAL . 8.0 m -116.02 112.98 41.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 55.4 m -100.37 124.4 45.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.42 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 2.8 t -127.35 134.09 66.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 539' ' ' TYR . . . . . 0.41 ' CD2' ' HG2' ' A' ' 631' ' ' PRO . 2.8 m-85 -109.33 117.28 33.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 111.034 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 540' ' ' TYR . . . . . 0.597 ' CD2' ' CE1' ' A' ' 591' ' ' PHE . 22.0 t80 -109.39 138.76 45.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -89.25 123.01 33.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 542' ' ' LYS . . . . . 0.543 ' CG ' ' HA3' ' A' ' 543' ' ' GLY . 6.9 ttmt -87.88 138.55 31.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.333 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 543' ' ' GLY . . . . . 0.543 ' HA3' ' CG ' ' A' ' 542' ' ' LYS . . . 150.19 -122.52 1.42 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 -0.001 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -131.52 -87.31 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 0.719 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 545' ' ' ASN . . . . . 0.485 ' O ' ' CB ' ' A' ' 546' ' ' SER . 0.5 OUTLIER -148.92 27.56 0.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 546' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 545' ' ' ASN . 0.7 OUTLIER 85.5 69.08 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 173.72 14.03 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.482 1.78 . . . . 0.0 111.018 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -108.03 143.24 37.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . 0.57 HD12 ' CE1' ' A' ' 591' ' ' PHE . 4.1 mt -116.65 144.31 24.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 550' ' ' HIS . . . . . 0.563 ' CD2' ' HB3' ' A' ' 561' ' ' ALA . 1.1 t60 -130.0 117.09 19.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.626 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 551' ' ' TYR . . . . . 0.538 ' CD1' HG21 ' A' ' 579' ' ' VAL . 0.3 OUTLIER -126.58 160.57 30.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 111.019 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 552' ' ' ARG . . . . . 0.525 ' HD3' ' CD1' ' A' ' 558' ' ' TRP . 0.2 OUTLIER -141.65 152.06 61.97 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 553' ' ' PRO . . . . . 0.515 ' O ' ' C ' ' A' ' 554' ' ' ALA . 18.3 Cg_endo -75.01 152.45 40.7 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.448 1.762 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -30.31 -72.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -126.19 86.65 0.35 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -147.65 -91.55 0.1 Allowed Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 557' ' ' SER . . . . . 0.513 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 40.0 t -168.63 179.83 4.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 0.792 . . . . 0.0 110.017 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 558' ' ' TRP . . . . . 0.525 ' CD1' ' HD3' ' A' ' 552' ' ' ARG . 53.3 m95 -105.67 112.94 26.22 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 559' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 558' ' ' TRP . 88.9 m -46.34 173.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.393 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 560' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -65.27 107.8 1.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 561' ' ' ALA . . . . . 0.563 ' HB3' ' CD2' ' A' ' 550' ' ' HIS . . . -71.7 133.9 84.27 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.301 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 562' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 561' ' ' ALA . 18.3 Cg_endo -75.0 147.0 88.2 Favored 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 121.04 -2.483 . . . . 0.0 111.015 0.006 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 563' ' ' GLY . . . . . 0.484 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -40.63 -99.27 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 564' ' ' VAL . . . . . 0.518 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.5 t -136.54 157.83 37.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.531 0.783 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 565' ' ' LYS . . . . . 0.495 ' O ' ' C ' ' A' ' 566' ' ' MET . 0.0 OUTLIER -86.05 119.84 26.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.576 1.172 . . . . 0.0 109.318 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 566' ' ' MET . . . . . 0.495 ' C ' ' O ' ' A' ' 565' ' ' LYS . 0.3 OUTLIER -29.02 118.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 111.031 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 576' ' ' LYS . 0.1 OUTLIER -86.6 106.57 17.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 567' ' ' GLN . 0.1 OUTLIER -39.76 143.6 0.23 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -90.4 -151.18 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.78 2.6 11.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 571' ' ' ILE . . . . . 0.546 ' O ' ' CB ' ' A' ' 572' ' ' SER . 9.0 mt -78.75 -23.68 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 572' ' ' SER . . . . . 0.546 ' CB ' ' O ' ' A' ' 571' ' ' ILE . 1.8 t 88.46 108.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.001 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 90.61 -1.37 78.72 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -108.88 161.28 15.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 0.786 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 575' ' ' ALA . . . . . . . . . . . . . . . -115.02 156.21 25.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 576' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 567' ' ' GLN . 0.4 OUTLIER -153.91 132.85 12.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 577' ' ' ILE . . . . . 0.557 ' O ' ' CD1' ' A' ' 577' ' ' ILE . 0.0 OUTLIER -130.42 146.82 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.342 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 578' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 5.3 m -127.12 132.99 50.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 110.431 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . 0.538 HG21 ' CD1' ' A' ' 551' ' ' TYR . 44.1 t -129.82 130.83 66.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.247 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 580' ' ' ASP . . . . . 0.404 ' O ' ' CG2' ' A' ' 581' ' ' ILE . 3.2 t70 -79.75 150.23 30.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 581' ' ' ILE . . . . . 0.43 ' CD1' HG21 ' A' ' 610' ' ' THR . 38.9 pt -152.88 48.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -53.34 -24.92 24.78 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.134 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -128.12 44.28 2.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.764 . . . . 0.0 110.009 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 584' ' ' ALA . . . . . . . . . . . . . . . -159.66 141.8 13.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.85 -5.14 17.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.996 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -143.06 138.54 30.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.309 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . 0.562 ' CD1' ' C ' ' A' ' 587' ' ' LEU . 0.3 OUTLIER -128.97 143.68 50.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . 0.507 ' O ' ' CB ' ' A' ' 551' ' ' TYR . 1.7 pm0 -116.77 143.45 45.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 589' ' ' ALA . . . . . 0.505 ' CB ' ' HB3' ' A' ' 551' ' ' TYR . . . -139.57 150.38 44.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.138 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . 0.474 ' O ' ' CG2' ' A' ' 549' ' ' ILE . . . -132.38 161.94 32.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 0.0 109.285 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 591' ' ' PHE . . . . . 0.597 ' CE1' ' CD2' ' A' ' 540' ' ' TYR . 86.5 m-85 -115.44 140.66 48.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 110.963 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 592' ' ' ASN . . . . . 0.419 ' HB3' ' CD2' ' A' ' 598' ' ' TRP . 11.5 p30 -159.14 135.21 8.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -81.94 -13.74 57.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 92.92 16.72 46.88 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -134.56 64.22 1.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 44.24 29.07 0.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -119.76 85.54 2.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 598' ' ' TRP . . . . . 0.419 ' CD2' ' HB3' ' A' ' 592' ' ' ASN . 58.4 m95 -101.31 136.65 40.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 107.989 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 605' ' ' ASN . . . . . 0.455 ' OD1' ' N ' ' A' ' 606' ' ' TYR . 11.1 p30 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 606' ' ' TYR . . . . . 0.655 ' CB ' ' CZ ' ' A' ' 608' ' ' PHE . 96.7 m-85 -129.63 161.76 29.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 111.038 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -114.5 121.06 42.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 608' ' ' PHE . . . . . 0.655 ' CZ ' ' CB ' ' A' ' 606' ' ' TYR . 11.2 m-85 -129.74 150.46 51.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 8.5 t -111.21 166.9 10.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.014 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 610' ' ' THR . . . . . 0.469 ' HA ' ' CG1' ' A' ' 536' ' ' VAL . 68.5 p -47.57 170.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.374 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 105.65 -157.76 16.08 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 612' ' ' THR . . . . . 0.465 ' CG2' ' HA ' ' A' ' 630' ' ' ALA . 1.3 m -103.15 132.77 49.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.562 0.801 . . . . 0.0 110.424 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.94 158.0 43.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 614' ' ' THR . . . . . 0.477 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 2.6 m -133.22 114.74 14.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 110.41 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 615' ' ' TYR . . . . . 0.639 ' CE1' ' CG1' ' A' ' 626' ' ' ILE . 0.1 OUTLIER -96.01 114.75 26.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 0.0 111.024 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 3.7 m -103.56 114.23 64.97 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.415 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . 0.543 ' HG3' ' CZ ' ' A' ' 540' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.181 0 O-C-N 124.468 1.772 . . . . 0.0 110.985 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 626' ' ' ILE . . . . . 0.639 ' CG1' ' CE1' ' A' ' 615' ' ' TYR . 0.1 OUTLIER -118.1 125.42 74.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.73 128.57 55.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.265 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.78 146.51 39.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.397 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 118.48 141.99 6.83 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . 0.465 ' HA ' ' CG2' ' A' ' 612' ' ' THR . . . -59.48 135.11 88.86 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.464 0.744 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 631' ' ' PRO . . . . . 0.41 ' HG2' ' CD2' ' A' ' 539' ' ' TYR . 18.2 Cg_endo -75.06 179.17 6.36 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.516 1.798 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 534' ' ' ASN . . . . . 0.491 ' HB3' ' CG2' ' A' ' 610' ' ' THR . 2.1 m-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 535' ' ' LYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 580' ' ' ASP . 8.8 mttp -146.9 150.35 35.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . 0.414 ' CG1' ' O ' ' A' ' 609' ' ' SER . 0.2 OUTLIER -115.34 121.51 67.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 14.8 m -105.64 122.3 45.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.409 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 2.5 t -123.28 130.43 74.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 539' ' ' TYR . . . . . 0.463 ' CB ' ' HG3' ' A' ' 631' ' ' PRO . 2.1 m-85 -106.79 119.78 40.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 540' ' ' TYR . . . . . 0.581 ' CE2' ' HG3' ' A' ' 617' ' ' PRO . 42.4 t80 -109.41 138.91 45.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -92.01 119.08 31.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.17 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 542' ' ' LYS . . . . . 0.579 ' CG ' ' HA3' ' A' ' 543' ' ' GLY . 18.2 ttmt -82.26 137.77 34.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 543' ' ' GLY . . . . . 0.579 ' HA3' ' CG ' ' A' ' 542' ' ' LYS . . . 149.23 -123.93 1.71 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.539 1.149 . . . . 0.0 111.05 0.004 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -138.7 -87.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.743 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 545' ' ' ASN . . . . . 0.505 ' O ' ' CB ' ' A' ' 546' ' ' SER . 64.6 m-80 -144.54 26.31 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 546' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 545' ' ' ASN . 1.4 m 86.3 70.08 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.983 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 142.27 27.6 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.53 1.805 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -77.28 145.73 37.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . 0.586 HG12 ' CE2' ' A' ' 551' ' ' TYR . 0.6 OUTLIER -116.79 142.06 32.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 550' ' ' HIS . . . . . 0.52 ' CE1' ' HB2' ' A' ' 561' ' ' ALA . 3.4 t-160 -130.86 118.17 20.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.619 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 551' ' ' TYR . . . . . 0.586 ' CE2' HG12 ' A' ' 549' ' ' ILE . 0.3 OUTLIER -127.41 160.6 30.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.948 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 552' ' ' ARG . . . . . 0.553 ' CZ ' ' NE1' ' A' ' 558' ' ' TRP . 0.5 OUTLIER -138.86 140.89 28.62 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 553' ' ' PRO . . . . . 0.504 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.4 Cg_endo -74.97 143.49 29.21 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.523 1.802 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 586' ' ' GLN . . . -72.97 59.57 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 149.97 38.46 0.03 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -146.09 -94.24 0.15 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 557' ' ' SER . . . . . 0.504 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 47.3 t 178.62 -171.2 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.77 . . . . 0.0 109.983 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 558' ' ' TRP . . . . . 0.553 ' NE1' ' CZ ' ' A' ' 552' ' ' ARG . 86.7 m95 -93.22 120.57 33.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 107.993 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 559' ' ' THR . . . . . 0.492 ' O ' ' CE1' ' A' ' 550' ' ' HIS . 19.9 m -54.16 168.99 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.348 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 560' ' ' ALA . . . . . 0.426 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -64.51 107.61 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 561' ' ' ALA . . . . . 0.52 ' HB2' ' CE1' ' A' ' 550' ' ' HIS . . . -70.21 133.72 87.46 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 562' ' ' PRO . . . . . 0.508 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.2 Cg_endo -74.95 146.84 87.79 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 121.033 -2.486 . . . . 0.0 110.992 -0.074 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 563' ' ' GLY . . . . . 0.508 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -41.99 -101.66 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 564' ' ' VAL . . . . . 0.535 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.8 t -136.86 157.68 36.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.474 0.749 . . . . 0.0 109.292 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 565' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 566' ' ' MET . 0.0 OUTLIER -86.96 120.53 28.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 566' ' ' MET . . . . . 0.464 ' HG2' ' CG2' ' A' ' 549' ' ' ILE . 0.9 OUTLIER -35.53 124.72 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.983 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 576' ' ' LYS . 1.6 mt-30 -91.33 110.71 22.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -48.32 133.91 15.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.458 ' HB2' ' CE2' ' A' ' 539' ' ' TYR . . . -73.69 -145.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -124.16 11.32 8.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 571' ' ' ILE . . . . . . . . . . . . . 19.0 mt -82.19 -86.8 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 166.96 91.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.038 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 94.9 8.52 59.13 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.443 1.089 . . . . 0.0 110.953 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -103.61 157.88 16.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 110.965 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 575' ' ' ALA . . . . . . . . . . . . . . . -115.69 154.47 29.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 576' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 567' ' ' GLN . 1.0 OUTLIER -154.52 129.13 9.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 577' ' ' ILE . . . . . 0.56 ' O ' ' CD1' ' A' ' 577' ' ' ILE . 0.0 OUTLIER -126.37 145.54 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 578' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 3.7 m -127.11 130.56 50.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.386 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . 0.494 HG13 ' CD2' ' A' ' 587' ' ' LEU . 0.7 OUTLIER -130.63 132.05 64.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 580' ' ' ASP . . . . . 0.435 ' HA ' ' HA ' ' A' ' 535' ' ' LYS . 5.1 t70 -93.5 148.29 22.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 581' ' ' ILE . . . . . 0.508 ' CD1' ' O ' ' A' ' 584' ' ' ALA . 2.7 pt -128.41 -36.05 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.373 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 582' ' ' GLY . . . . . 0.529 ' O ' ' CB ' ' A' ' 583' ' ' SER . . . 39.39 48.85 2.94 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 583' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 582' ' ' GLY . 0.4 OUTLIER 156.93 -51.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 0.756 . . . . 0.0 109.992 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 584' ' ' ALA . . . . . 0.508 ' O ' ' CD1' ' A' ' 581' ' ' ILE . . . -65.19 146.09 55.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 71.3 m -112.72 1.18 15.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 110.023 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 586' ' ' GLN . . . . . 0.482 ' O ' ' CB ' ' A' ' 554' ' ' ALA . 19.6 mt-30 -151.3 137.84 18.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . 0.494 ' CD2' HG13 ' A' ' 579' ' ' VAL . 4.2 tt -137.68 132.99 33.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . 0.427 ' O ' ' CA ' ' A' ' 551' ' ' TYR . 1.7 pm0 -97.25 142.53 29.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 589' ' ' ALA . . . . . 0.525 ' CB ' ' HB3' ' A' ' 551' ' ' TYR . . . -139.42 139.74 37.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -123.78 161.41 25.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.276 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 591' ' ' PHE . . . . . 0.58 ' CZ ' ' CD2' ' A' ' 615' ' ' TYR . 7.9 m-85 -118.57 128.83 54.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -146.77 136.09 22.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . 0.404 ' C ' ' OD2' ' A' ' 593' ' ' ASP . 0.0 OUTLIER -67.92 -18.67 64.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.308 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 105.48 19.25 10.68 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.503 1.127 . . . . 0.0 110.966 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -126.34 29.32 5.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 0.736 . . . . 0.0 109.349 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 73.11 17.39 4.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -101.4 79.17 1.94 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 598' ' ' TRP . . . . . 0.411 ' CZ3' ' HB3' ' A' ' 550' ' ' HIS . 9.4 m95 -90.13 126.4 35.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 107.977 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 606' ' ' TYR . . . . . 0.57 ' HB2' ' CE1' ' A' ' 608' ' ' PHE . 92.1 m-85 -127.84 137.76 52.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 4.3 mp -99.61 126.34 45.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 608' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 606' ' ' TYR . 0.4 OUTLIER -122.11 146.36 47.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 609' ' ' SER . . . . . 0.414 ' O ' ' CG1' ' A' ' 536' ' ' VAL . 20.9 t -102.51 166.24 10.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 610' ' ' THR . . . . . 0.491 ' CG2' ' HB3' ' A' ' 534' ' ' ASN . 57.3 p -54.97 162.9 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 110.41 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 120.51 -134.81 10.53 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 612' ' ' THR . . . . . 0.452 ' CG2' ' HA ' ' A' ' 630' ' ' ALA . 2.6 m -124.31 123.91 41.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 0.754 . . . . 0.0 110.403 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 11.5 m -139.03 157.72 45.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 614' ' ' THR . . . . . 0.468 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 30.3 m -133.58 125.26 28.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.365 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 615' ' ' TYR . . . . . 0.58 ' CD2' ' CZ ' ' A' ' 591' ' ' PHE . 0.1 OUTLIER -97.26 121.05 38.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 20.6 m -117.01 117.81 36.72 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.393 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . 0.581 ' HG3' ' CE2' ' A' ' 540' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.155 0 O-C-N 124.448 1.762 . . . . 0.0 110.993 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 67.5 p . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 626' ' ' ILE . . . . . 0.468 ' HA ' ' O ' ' A' ' 614' ' ' THR . 0.1 OUTLIER -121.92 130.25 74.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.62 125.8 54.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.18 146.54 41.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.424 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 114.43 143.55 8.31 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.544 1.153 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . 0.452 ' HA ' ' CG2' ' A' ' 612' ' ' THR . . . -59.34 133.4 88.19 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.448 0.734 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 631' ' ' PRO . . . . . 0.463 ' HG3' ' CB ' ' A' ' 539' ' ' TYR . 18.3 Cg_endo -74.98 -179.94 5.48 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.489 1.784 . . . . 0.0 110.949 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.989 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -141.78 149.2 40.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . 0.495 ' CG1' ' O ' ' A' ' 609' ' ' SER . 1.6 t -115.56 128.23 72.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 16.0 m -102.13 127.39 49.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 1.8 t -126.79 129.96 71.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 539' ' ' TYR . . . . . 0.482 ' CD2' ' HG2' ' A' ' 631' ' ' PRO . 0.7 OUTLIER -111.17 116.53 31.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 540' ' ' TYR . . . . . 0.585 ' CE2' ' HG3' ' A' ' 617' ' ' PRO . 50.6 t80 -112.0 138.61 48.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.969 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -86.96 117.24 25.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 542' ' ' LYS . . . . . 0.475 ' HG3' ' CA ' ' A' ' 543' ' ' GLY . 1.1 ttpt -86.95 142.62 27.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 543' ' ' GLY . . . . . 0.475 ' CA ' ' HG3' ' A' ' 542' ' ' LYS . . . 145.02 -130.63 3.94 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 0.032 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . 0.493 ' CD1' ' N ' ' A' ' 544' ' ' PHE . 4.4 m-85 -121.36 -132.58 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 0.759 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -111.79 -56.27 2.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 546' ' ' SER . . . . . 0.43 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 6.9 p -135.58 63.37 53.57 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 109.998 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 547' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.3 Cg_endo -75.05 141.19 26.19 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.519 1.8 . . . . 0.0 111.005 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 548' ' ' TYR . . . . . 0.527 ' CZ ' ' HB2' ' A' ' 565' ' ' LYS . 7.9 m-85 -120.86 155.73 33.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . 0.631 ' CG1' ' CE2' ' A' ' 551' ' ' TYR . 0.2 OUTLIER -129.8 140.9 47.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -120.8 115.33 23.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.631 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 551' ' ' TYR . . . . . 0.631 ' CE2' ' CG1' ' A' ' 549' ' ' ILE . 0.1 OUTLIER -129.66 160.51 33.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 552' ' ' ARG . . . . . 0.59 ' HD3' ' CG ' ' A' ' 558' ' ' TRP . 0.6 OUTLIER -149.78 170.12 8.16 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.273 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 553' ' ' PRO . . . . . 0.565 ' O ' ' HG3' ' A' ' 552' ' ' ARG . 18.2 Cg_endo -75.08 155.76 42.56 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.543 1.812 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . 0.537 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -29.01 -86.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -124.11 94.27 0.48 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.464 1.102 . . . . 0.0 111.005 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -153.88 -86.86 0.06 OUTLIER Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 557' ' ' SER . . . . . 0.574 ' O ' ' HB2' ' A' ' 552' ' ' ARG . 14.4 t -150.34 -175.23 5.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 110.039 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 558' ' ' TRP . . . . . 0.59 ' CG ' ' HD3' ' A' ' 552' ' ' ARG . 66.5 m95 -119.33 140.59 50.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 108.006 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 10.0 m -66.55 172.32 4.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.434 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 560' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -71.08 107.22 4.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 561' ' ' ALA . . . . . 0.492 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -72.16 134.64 82.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 562' ' ' PRO . . . . . 0.519 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.1 Cg_endo -75.02 148.41 91.64 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 121.024 -2.49 . . . . 0.0 110.972 0.052 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 563' ' ' GLY . . . . . 0.519 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -44.46 -104.06 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 564' ' ' VAL . . . . . 0.507 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.0 OUTLIER -136.23 158.14 38.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 565' ' ' LYS . . . . . 0.527 ' HB2' ' CZ ' ' A' ' 548' ' ' TYR . 0.5 OUTLIER -85.21 117.95 24.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.307 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 566' ' ' MET . . . . . 0.462 ' CE ' ' HB3' ' A' ' 540' ' ' TYR . 3.5 mtp -36.63 136.21 0.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -100.65 115.79 31.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.293 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -46.17 134.91 8.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.453 ' HB2' ' CZ ' ' A' ' 539' ' ' TYR . . . -70.45 -143.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -126.02 6.73 7.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 571' ' ' ILE . . . . . 0.494 ' O ' ' CB ' ' A' ' 572' ' ' SER . 77.9 mt -80.97 -78.73 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 572' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 571' ' ' ILE . 0.5 OUTLIER 159.86 93.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.002 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 95.52 8.92 58.17 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.515 1.135 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -103.77 159.85 15.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 0.771 . . . . 0.0 110.997 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 575' ' ' ALA . . . . . . . . . . . . . . . -117.15 150.44 38.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -151.55 128.67 11.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 577' ' ' ILE . . . . . 0.558 ' C ' ' CD1' ' A' ' 577' ' ' ILE . 0.2 OUTLIER -131.33 152.23 36.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 578' ' ' THR . . . . . 0.435 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 35.8 m -127.44 140.27 52.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.463 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . 0.478 ' CG2' HD12 ' A' ' 577' ' ' ILE . 2.9 t -131.99 125.76 55.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 580' ' ' ASP . . . . . 0.51 ' O ' ' CG2' ' A' ' 581' ' ' ILE . 10.8 t0 -81.02 148.82 29.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 581' ' ' ILE . . . . . 0.51 ' CG2' ' O ' ' A' ' 580' ' ' ASP . 45.8 pt -156.79 50.78 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -52.69 -19.14 6.21 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 1.2 m -131.42 45.8 2.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.766 . . . . 0.0 109.969 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 584' ' ' ALA . . . . . 0.479 ' CB ' ' HB ' ' A' ' 581' ' ' ILE . . . -162.09 143.6 10.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.82 -2.12 16.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.963 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -149.0 138.58 21.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . 0.471 HD13 ' CG1' ' A' ' 579' ' ' VAL . 0.3 OUTLIER -138.11 137.9 38.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . 0.465 ' CG ' ' HG2' ' A' ' 552' ' ' ARG . 1.1 pm0 -100.91 142.48 32.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.261 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 589' ' ' ALA . . . . . 0.517 ' CB ' ' HB3' ' A' ' 551' ' ' TYR . . . -140.62 135.66 31.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.256 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -120.64 157.15 30.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 591' ' ' PHE . . . . . 0.548 ' CZ ' ' CG ' ' A' ' 615' ' ' TYR . 17.9 m-85 -119.16 127.1 53.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.975 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -141.93 161.25 38.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.353 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 21.9 p-10 -84.82 -31.06 24.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . -177.02 -50.13 0.06 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 169.15 72.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 0.741 . . . . 0.0 109.263 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 174.88 -35.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -113.37 87.22 2.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 71.2 m95 -100.48 131.77 46.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 107.984 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 606' ' ' TYR . . . . . 0.591 ' CB ' ' CZ ' ' A' ' 608' ' ' PHE . 80.6 m-85 -124.09 162.24 23.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 110.998 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . 0.523 ' CD1' ' N ' ' A' ' 607' ' ' LEU . 0.0 OUTLIER -124.19 124.11 41.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 608' ' ' PHE . . . . . 0.591 ' CZ ' ' CB ' ' A' ' 606' ' ' TYR . 13.5 m-85 -128.89 145.71 51.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.048 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 609' ' ' SER . . . . . 0.495 ' O ' ' CG1' ' A' ' 536' ' ' VAL . 38.3 t -111.27 160.06 17.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.002 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 610' ' ' THR . . . . . 0.479 HG23 ' CD1' ' A' ' 581' ' ' ILE . 63.3 p -46.63 167.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.361 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 114.1 -136.83 13.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.107 . . . . 0.0 110.954 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 612' ' ' THR . . . . . 0.457 ' CG2' ' HA ' ' A' ' 630' ' ' ALA . 32.0 m -129.92 129.75 44.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 0.743 . . . . 0.0 110.399 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 1.1 t -142.16 156.94 45.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 614' ' ' THR . . . . . 0.433 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 18.9 m -133.89 119.78 19.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 110.365 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 615' ' ' TYR . . . . . 0.548 ' CG ' ' CZ ' ' A' ' 591' ' ' PHE . 10.1 t80 -96.73 120.22 36.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 96.0 m -109.69 113.26 57.93 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.396 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . 0.585 ' HG3' ' CE2' ' A' ' 540' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.456 1.766 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 4.6 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.402 -0.222 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 626' ' ' ILE . . . . . 0.433 ' HA ' ' O ' ' A' ' 614' ' ' THR . 0.1 OUTLIER -120.44 127.95 75.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 1.4 tpt85 -108.87 127.91 54.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.62 147.36 37.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.433 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 113.23 141.94 8.16 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.454 1.096 . . . . 0.0 110.972 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . 0.457 ' HA ' ' CG2' ' A' ' 612' ' ' THR . . . -59.9 126.04 82.26 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.462 0.743 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 631' ' ' PRO . . . . . 0.482 ' HG2' ' CD2' ' A' ' 539' ' ' TYR . 18.4 Cg_endo -74.94 155.11 43.19 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.493 1.786 . . . . 0.0 111.006 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.007 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 534' ' ' ASN . . . . . 0.444 ' HB3' ' CG2' ' A' ' 610' ' ' THR . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 11.0 mtmm -146.83 151.45 37.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . 0.473 ' CG2' HD11 ' A' ' 581' ' ' ILE . 0.2 OUTLIER -120.7 113.59 40.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 29.3 m -105.31 121.46 43.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.406 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 538' ' ' VAL . . . . . 0.585 ' CG1' ' CD1' ' A' ' 577' ' ' ILE . 7.3 p -127.15 141.26 46.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 539' ' ' TYR . . . . . 0.552 ' CE1' ' HB2' ' A' ' 576' ' ' LYS . 2.8 m-85 -107.98 129.94 55.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 540' ' ' TYR . . . . . 0.527 ' CD2' ' SD ' ' A' ' 566' ' ' MET . 4.7 t80 -113.2 140.06 48.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -90.8 113.31 25.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.361 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 542' ' ' LYS . . . . . 0.484 ' HG3' ' CA ' ' A' ' 543' ' ' GLY . 0.4 OUTLIER -81.24 140.53 34.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 543' ' ' GLY . . . . . 0.484 ' CA ' ' HG3' ' A' ' 542' ' ' LYS . . . 147.54 -136.5 6.09 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 111.043 -0.04 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -120.52 -119.82 0.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 0.0 111.0 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -124.47 -59.33 1.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 546' ' ' SER . . . . . 0.477 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 58.3 m -137.17 61.01 31.21 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.014 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 547' ' ' PRO . . . . . 0.477 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.1 Cg_endo -75.03 147.69 34.16 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 110.973 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -122.77 154.02 38.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . 0.582 HG12 ' CD2' ' A' ' 551' ' ' TYR . 0.7 OUTLIER -125.28 143.78 37.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 550' ' ' HIS . . . . . 0.513 ' CD2' ' HB1' ' A' ' 561' ' ' ALA . 0.8 OUTLIER -128.98 117.23 20.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.622 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 551' ' ' TYR . . . . . 0.582 ' CD2' HG12 ' A' ' 549' ' ' ILE . 0.2 OUTLIER -128.18 160.93 30.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 552' ' ' ARG . . . . . 0.557 ' NH2' ' HE2' ' A' ' 588' ' ' GLU . 0.0 OUTLIER -144.23 152.17 53.51 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 553' ' ' PRO . . . . . 0.498 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.4 Cg_endo -74.98 153.63 42.01 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.474 1.776 . . . . 0.0 111.031 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . 0.468 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -34.26 -70.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -126.06 87.36 0.35 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.467 1.105 . . . . 0.0 110.97 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -149.88 -92.5 0.1 OUTLIER Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 557' ' ' SER . . . . . 0.498 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 39.3 t -170.09 179.68 3.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 0.798 . . . . 0.0 109.974 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 558' ' ' TRP . . . . . 0.448 ' CD1' ' HD3' ' A' ' 552' ' ' ARG . 55.0 m95 -103.31 126.17 50.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 107.965 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 51.4 m -60.47 175.12 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.41 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 560' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -66.82 107.93 2.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 561' ' ' ALA . . . . . 0.513 ' HB1' ' CD2' ' A' ' 550' ' ' HIS . . . -72.42 133.7 82.85 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 562' ' ' PRO . . . . . 0.514 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.4 Cg_endo -74.98 146.06 85.62 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.984 -2.507 . . . . 0.0 111.025 -0.065 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 563' ' ' GLY . . . . . 0.514 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -37.53 -99.84 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 564' ' ' VAL . . . . . 0.534 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.6 t -137.7 157.54 33.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.547 0.792 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 565' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 566' ' ' MET . 12.1 tptm -87.22 108.01 18.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 566' ' ' MET . . . . . 0.527 ' SD ' ' CD2' ' A' ' 540' ' ' TYR . 0.2 OUTLIER -32.09 130.0 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 111.04 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -98.24 129.06 44.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.287 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.0 146.21 1.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.345 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.456 ' CB ' ' HB3' ' A' ' 576' ' ' LYS . . . -87.52 -147.83 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 570' ' ' GLU . . . . . 0.459 ' O ' ' CG ' ' A' ' 570' ' ' GLU . 1.4 tt0 -122.68 32.93 5.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 571' ' ' ILE . . . . . 0.498 ' O ' ' CB ' ' A' ' 572' ' ' SER . 4.2 mt -109.24 -78.17 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 572' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 571' ' ' ILE . 0.5 OUTLIER 160.15 98.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.014 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 86.73 7.6 78.15 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -103.79 160.17 15.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 0.775 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 575' ' ' ALA . . . . . . . . . . . . . . . -116.24 153.94 30.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 576' ' ' LYS . . . . . 0.552 ' HB2' ' CE1' ' A' ' 539' ' ' TYR . 0.0 OUTLIER -156.0 132.85 10.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 577' ' ' ILE . . . . . 0.585 ' CD1' ' CG1' ' A' ' 538' ' ' VAL . 0.0 OUTLIER -134.57 147.72 29.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 578' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 84.8 m -122.62 137.51 54.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.402 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . 0.481 ' CG2' HD13 ' A' ' 587' ' ' LEU . 0.8 OUTLIER -130.6 131.84 64.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 580' ' ' ASP . . . . . 0.451 ' O ' ' CG2' ' A' ' 581' ' ' ILE . 3.2 t0 -82.39 150.79 26.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 581' ' ' ILE . . . . . 0.493 ' CD1' HG21 ' A' ' 610' ' ' THR . 36.9 pt -154.76 58.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.232 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 582' ' ' GLY . . . . . 0.484 ' C ' ' O ' ' A' ' 581' ' ' ILE . . . -30.82 -79.21 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.47 1.107 . . . . 0.0 111.022 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.57 -32.44 28.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 0.781 . . . . 0.0 109.984 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 584' ' ' ALA . . . . . 0.488 ' CB ' ' HB ' ' A' ' 581' ' ' ILE . . . -60.13 133.16 55.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.01 -8.38 14.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 110.012 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.08 137.73 31.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . 0.525 ' CD2' ' HB2' ' A' ' 551' ' ' TYR . 3.8 tt -137.66 131.92 32.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . 0.557 ' HE2' ' NH2' ' A' ' 552' ' ' ARG . 2.0 pt-20 -97.39 142.81 28.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 589' ' ' ALA . . . . . 0.452 ' CB ' ' HB3' ' A' ' 551' ' ' TYR . . . -135.09 145.44 47.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -126.07 161.66 27.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 591' ' ' PHE . . . . . 0.564 ' CE2' ' HG3' ' A' ' 617' ' ' PRO . 0.8 OUTLIER -119.66 128.61 53.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 111.051 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 592' ' ' ASN . . . . . 0.418 ' CB ' ' CD2' ' A' ' 598' ' ' TRP . 6.8 p-10 -144.7 135.96 25.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -75.01 -12.39 60.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 78.39 10.86 85.87 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -121.47 56.76 1.04 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 0.778 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 59.82 28.86 18.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -131.05 95.26 3.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.254 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 598' ' ' TRP . . . . . 0.418 ' CD2' ' CB ' ' A' ' 592' ' ' ASN . 27.9 m95 -120.97 137.74 54.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 107.97 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.991 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 606' ' ' TYR . . . . . 0.607 ' HB2' ' CZ ' ' A' ' 608' ' ' PHE . 5.1 m-85 -130.69 136.02 48.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 11.4 mt -99.31 140.74 33.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 608' ' ' PHE . . . . . 0.607 ' CZ ' ' HB2' ' A' ' 606' ' ' TYR . 25.4 m-85 -131.28 146.59 52.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 4.1 t -111.96 155.35 23.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.96 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 610' ' ' THR . . . . . 0.493 HG21 ' CD1' ' A' ' 581' ' ' ILE . 22.9 p -38.34 154.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.366 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 122.54 -148.33 16.94 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 612' ' ' THR . . . . . 0.463 HG22 ' CB ' ' A' ' 630' ' ' ALA . 1.8 m -111.63 124.91 53.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 0.796 . . . . 0.0 110.408 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 613' ' ' SER . . . . . 0.409 ' HB3' ' CG2' ' A' ' 538' ' ' VAL . 0.5 OUTLIER -128.75 158.85 37.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.99 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 614' ' ' THR . . . . . 0.46 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 25.1 m -132.91 122.5 24.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.404 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 615' ' ' TYR . . . . . 0.464 ' CD1' ' CE1' ' A' ' 591' ' ' PHE . 0.2 OUTLIER -102.05 121.14 41.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 111.013 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 55.6 m -131.56 89.83 38.99 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.417 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . 0.564 ' HG3' ' CE2' ' A' ' 591' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.439 1.757 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 7.0 p . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 626' ' ' ILE . . . . . 0.46 ' HA ' ' O ' ' A' ' 614' ' ' THR . 0.1 OUTLIER -120.08 125.97 74.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.65 122.81 48.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.419 1.075 . . . . 0.0 110.286 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.24 150.31 37.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.376 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 108.53 141.26 9.49 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . 0.463 ' CB ' HG22 ' A' ' 612' ' ' THR . . . -59.6 115.92 14.52 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.465 0.744 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 163.94 34.31 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.519 1.799 . . . . 0.0 111.019 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.999 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 534' ' ' ASN . . . . . 0.464 ' OD1' ' N ' ' A' ' 534' ' ' ASN . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 535' ' ' LYS . . . . . 0.47 ' HB3' ' CG2' ' A' ' 578' ' ' THR . 4.3 mtpt -142.32 147.46 36.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . 0.486 ' CG2' HD11 ' A' ' 581' ' ' ILE . 1.9 t -115.09 134.62 57.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 37.7 m -100.57 128.75 46.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.4 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 1.8 t -126.47 129.43 71.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 539' ' ' TYR . . . . . 0.491 ' CD2' ' HG2' ' A' ' 631' ' ' PRO . 0.3 OUTLIER -117.48 118.9 33.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.993 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 540' ' ' TYR . . . . . 0.45 ' CD1' ' N ' ' A' ' 541' ' ' LYS . 2.1 t80 -117.74 138.42 52.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 541' ' ' LYS . . . . . 0.45 ' N ' ' CD1' ' A' ' 540' ' ' TYR . 9.6 ttpt -93.55 114.62 27.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 542' ' ' LYS . . . . . 0.449 ' HG3' ' CA ' ' A' ' 543' ' ' GLY . 2.6 ttpt -84.19 142.6 30.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 543' ' ' GLY . . . . . 0.449 ' CA ' ' HG3' ' A' ' 542' ' ' LYS . . . 144.2 -130.13 3.87 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -0.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . 0.446 ' CD1' ' N ' ' A' ' 544' ' ' PHE . 7.5 m-85 -112.95 -119.13 0.3 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 0.755 . . . . 0.0 110.95 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -117.54 -52.45 2.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 546' ' ' SER . . . . . 0.446 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 65.3 p -162.31 62.72 1.37 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.986 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 547' ' ' PRO . . . . . 0.446 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.4 Cg_endo -75.05 158.72 41.86 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.485 1.782 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 548' ' ' TYR . . . . . 0.512 ' CD1' ' HB2' ' A' ' 562' ' ' PRO . 2.6 m-85 -111.22 162.36 15.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . 0.523 HG13 ' CZ ' ' A' ' 551' ' ' TYR . 0.2 OUTLIER -123.19 139.06 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 550' ' ' HIS . . . . . 0.605 ' CE1' ' O ' ' A' ' 559' ' ' THR . 3.4 t-160 -127.01 113.98 17.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.559 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 551' ' ' TYR . . . . . 0.523 ' CZ ' HG13 ' A' ' 549' ' ' ILE . 10.1 m-30 -113.76 164.71 13.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 552' ' ' ARG . . . . . 0.608 ' HB3' ' CZ3' ' A' ' 558' ' ' TRP . 0.0 OUTLIER -149.3 137.64 11.9 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 553' ' ' PRO . . . . . 0.555 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.2 Cg_endo -75.01 159.49 41.27 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.527 1.804 . . . . 0.0 110.982 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . 0.502 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -32.76 -70.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -134.79 83.85 0.28 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.544 1.153 . . . . 0.0 111.022 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -142.43 -90.23 0.14 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 557' ' ' SER . . . . . 0.555 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 18.1 t -161.69 -177.34 5.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.997 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 558' ' ' TRP . . . . . 0.608 ' CZ3' ' HB3' ' A' ' 552' ' ' ARG . 78.1 m95 -107.97 111.48 23.59 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 559' ' ' THR . . . . . 0.605 ' O ' ' CE1' ' A' ' 550' ' ' HIS . 32.5 p -32.74 143.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.426 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 560' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -55.41 106.93 0.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 561' ' ' ALA . . . . . 0.478 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -64.81 131.74 95.25 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 562' ' ' PRO . . . . . 0.512 ' HB2' ' CD1' ' A' ' 548' ' ' TYR . 18.5 Cg_endo -74.96 141.67 72.47 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.976 -2.51 . . . . 0.0 111.037 -0.076 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 563' ' ' GLY . . . . . 0.473 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -41.37 -98.49 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 1.5 t -135.15 156.49 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 109.309 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 565' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 566' ' ' MET . 0.0 OUTLIER -92.36 109.22 20.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.167 . . . . 0.0 109.329 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 566' ' ' MET . . . . . 0.451 ' CG ' ' CG2' ' A' ' 549' ' ' ILE . 0.0 OUTLIER -37.31 156.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 576' ' ' LYS . 0.3 OUTLIER -124.48 123.52 40.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.327 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.18 131.98 28.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -67.13 -145.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -119.81 8.15 11.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 571' ' ' ILE . . . . . 0.538 HG21 ' CD2' ' A' ' 574' ' ' TYR . 35.1 mt -85.64 -97.07 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 178.85 93.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.044 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 96.43 9.57 56.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . 0.538 ' CD2' HG21 ' A' ' 571' ' ' ILE . 14.4 m-85 -103.23 159.27 15.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 0.806 . . . . 0.0 110.995 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 575' ' ' ALA . . . . . . . . . . . . . . . -118.83 151.62 37.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 576' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 567' ' ' GLN . 0.0 OUTLIER -154.57 137.33 15.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 577' ' ' ILE . . . . . 0.575 ' C ' ' CD1' ' A' ' 577' ' ' ILE . 0.2 OUTLIER -146.4 152.51 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 578' ' ' THR . . . . . 0.525 ' N ' ' CD1' ' A' ' 577' ' ' ILE . 41.9 m -121.45 143.07 49.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.38 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 41.3 t -130.91 123.47 54.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 580' ' ' ASP . . . . . 0.446 ' O ' ' CG2' ' A' ' 581' ' ' ILE . 9.1 t0 -82.81 149.62 27.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 581' ' ' ILE . . . . . 0.493 ' CD1' HG23 ' A' ' 610' ' ' THR . 30.0 pt -154.98 56.83 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -55.24 -16.8 9.85 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.533 1.146 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.11 49.39 2.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 0.743 . . . . 0.0 110.026 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 584' ' ' ALA . . . . . 0.479 ' CB ' ' HB ' ' A' ' 581' ' ' ILE . . . -164.15 141.96 7.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.68 -3.55 13.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.04 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -147.44 138.03 23.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.339 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . 0.472 ' CD2' ' HB3' ' A' ' 551' ' ' TYR . 2.8 tt -146.75 126.28 13.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . 0.491 ' CB ' ' O ' ' A' ' 606' ' ' TYR . 1.3 pm0 -90.68 143.58 26.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 589' ' ' ALA . . . . . 0.488 ' CB ' ' CD1' ' A' ' 551' ' ' TYR . . . -127.29 134.84 49.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -121.21 160.88 22.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 591' ' ' PHE . . . . . 0.546 ' CE2' ' HG3' ' A' ' 617' ' ' PRO . 7.6 m-85 -115.99 129.23 56.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.1 . . . . 0.0 110.955 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 592' ' ' ASN . . . . . 0.406 ' O ' ' O ' ' A' ' 548' ' ' TYR . 2.7 p-10 -139.87 136.78 34.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -67.1 -31.59 72.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 594' ' ' GLY . . . . . 0.466 ' O ' ' CB ' ' A' ' 595' ' ' ASN . . . -177.58 -40.76 0.06 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.458 1.099 . . . . 0.0 111.065 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 595' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 594' ' ' GLY . 2.6 m-20 158.46 80.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 0.758 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 166.93 -39.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -114.13 106.49 14.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 18.2 m95 -111.46 123.94 51.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 108.034 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 605' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 605' ' ' ASN . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 606' ' ' TYR . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 608' ' ' PHE . 82.3 m-85 -128.31 164.22 23.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 13.5 mt -117.84 128.24 54.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 608' ' ' PHE . . . . . 0.557 ' CZ ' ' HB2' ' A' ' 606' ' ' TYR . 23.9 m-85 -133.05 145.71 51.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 609' ' ' SER . . . . . 0.417 ' O ' ' O ' ' A' ' 610' ' ' THR . 19.8 t -111.8 165.26 12.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 610' ' ' THR . . . . . 0.493 HG23 ' CD1' ' A' ' 581' ' ' ILE . 73.6 p -41.0 163.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.398 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 117.88 -136.64 12.56 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 612' ' ' THR . . . . . . . . . . . . . 2.7 m -129.32 135.8 49.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 110.366 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 94.6 p -142.37 157.87 44.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 110.007 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 614' ' ' THR . . . . . 0.44 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 4.1 m -134.18 114.95 13.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.16 . . . . 0.0 110.4 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 615' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -97.32 117.28 31.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 90.2 m -119.05 87.29 33.91 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.393 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . 0.546 ' HG3' ' CE2' ' A' ' 591' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.514 1.797 . . . . 0.0 111.034 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 12.8 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 626' ' ' ILE . . . . . 0.44 ' HA ' ' O ' ' A' ' 614' ' ' THR . 0.2 OUTLIER -118.03 125.53 74.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.73 123.14 48.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.306 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.27 147.85 37.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 110.358 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 110.77 142.02 8.99 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -59.51 121.97 60.95 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.448 0.734 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 631' ' ' PRO . . . . . 0.491 ' HG2' ' CD2' ' A' ' 539' ' ' TYR . 18.3 Cg_endo -75.0 158.43 42.22 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.506 1.793 . . . . 0.0 111.02 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.045 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 534' ' ' ASN . . . . . 0.435 ' O ' ' OD2' ' A' ' 580' ' ' ASP . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -142.27 146.04 34.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . 0.483 ' CG2' ' HB ' ' A' ' 579' ' ' VAL . 5.9 m -115.16 121.08 66.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 94.7 m -102.44 124.11 47.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.36 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 538' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 576' ' ' LYS . 14.2 t -125.2 138.09 55.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 539' ' ' TYR . . . . . 0.508 ' CE2' ' HB1' ' A' ' 569' ' ' ALA . 1.8 m-85 -116.93 121.73 42.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 540' ' ' TYR . . . . . 0.455 ' CE1' ' O ' ' A' ' 541' ' ' LYS . 2.6 t80 -118.51 139.76 50.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 111.021 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 541' ' ' LYS . . . . . 0.455 ' O ' ' CE1' ' A' ' 540' ' ' TYR . 0.2 OUTLIER -88.22 114.49 24.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 542' ' ' LYS . . . . . 0.484 ' HG3' ' CA ' ' A' ' 543' ' ' GLY . 2.6 ttpt -85.66 142.27 29.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 543' ' ' GLY . . . . . 0.484 ' CA ' ' HG3' ' A' ' 542' ' ' LYS . . . 146.62 -130.72 3.75 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.504 1.128 . . . . 0.0 111.028 0.022 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . 0.486 ' CD1' ' N ' ' A' ' 544' ' ' PHE . 5.5 m-85 -118.84 -128.44 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 0.778 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -114.64 -59.4 2.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 546' ' ' SER . . . . . 0.444 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 2.4 m -137.04 62.04 37.45 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.984 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 547' ' ' PRO . . . . . 0.444 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.3 Cg_endo -75.01 145.07 30.96 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.53 1.805 . . . . 0.0 111.043 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -119.34 146.64 45.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.981 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . 0.596 HG12 ' CD2' ' A' ' 551' ' ' TYR . 0.4 OUTLIER -116.85 143.53 26.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -128.62 118.17 22.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.607 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 551' ' ' TYR . . . . . 0.596 ' CD2' HG12 ' A' ' 549' ' ' ILE . 0.4 OUTLIER -130.25 160.66 33.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 111.015 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 552' ' ' ARG . . . . . 0.491 ' HG3' ' N ' ' A' ' 553' ' ' PRO . 0.3 OUTLIER -138.59 153.6 72.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.336 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 553' ' ' PRO . . . . . 0.565 ' O ' ' C ' ' A' ' 554' ' ' ALA . 18.2 Cg_endo -75.04 153.55 41.65 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.52 1.8 . . . . 0.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . 0.565 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -27.38 -74.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -129.9 84.41 0.32 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 111.022 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -141.99 -91.58 0.17 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 557' ' ' SER . . . . . 0.481 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 30.4 t -164.62 179.97 6.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 0.778 . . . . 0.0 110.009 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 558' ' ' TRP . . . . . 0.441 ' NE1' ' HD3' ' A' ' 552' ' ' ARG . 62.3 m95 -106.98 114.49 28.6 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 559' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 558' ' ' TRP . 21.5 m -46.66 173.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.375 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 560' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -72.08 107.86 4.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 561' ' ' ALA . . . . . 0.507 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -67.47 134.55 92.93 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 562' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 561' ' ' ALA . 18.4 Cg_endo -74.99 148.45 91.78 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.985 -2.506 . . . . 0.0 111.01 -0.022 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 563' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -43.23 -100.31 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.46 1.1 . . . . 0.0 111.031 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 564' ' ' VAL . . . . . 0.519 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.8 t -135.93 157.92 38.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.489 0.758 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 565' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 566' ' ' MET . 7.2 tptp -86.19 115.83 24.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 566' ' ' MET . . . . . 0.491 ' SD ' ' CG2' ' A' ' 577' ' ' ILE . 0.1 OUTLIER -33.85 149.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 568' ' ' ASP . 15.0 mm-40 -118.13 110.22 17.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 567' ' ' GLN . 0.1 OUTLIER -37.0 144.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.508 ' HB1' ' CE2' ' A' ' 539' ' ' TYR . . . -85.77 -150.19 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -120.26 10.1 11.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.317 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 571' ' ' ILE . . . . . 0.412 HD12 ' CB ' ' A' ' 632' ' ' SER . 36.9 mm -82.56 -88.25 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 170.92 94.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.026 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 89.93 9.79 65.49 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.451 1.094 . . . . 0.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -103.68 158.35 16.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 0.763 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 575' ' ' ALA . . . . . 0.424 ' CB ' ' SD ' ' A' ' 566' ' ' MET . . . -115.94 151.87 34.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 576' ' ' LYS . . . . . 0.446 ' CD ' ' HA ' ' A' ' 569' ' ' ALA . 12.1 ptmt -153.38 131.12 11.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 577' ' ' ILE . . . . . 0.607 ' C ' ' CD1' ' A' ' 577' ' ' ILE . 0.2 OUTLIER -128.63 150.41 34.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.247 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 578' ' ' THR . . . . . 0.482 ' N ' ' CD1' ' A' ' 577' ' ' ILE . 3.7 m -128.29 136.81 51.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.42 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . 0.579 HG22 ' CE1' ' A' ' 551' ' ' TYR . 97.5 t -130.93 127.84 61.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 580' ' ' ASP . . . . . 0.526 ' O ' ' CG2' ' A' ' 581' ' ' ILE . 0.2 OUTLIER -79.83 148.92 31.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 581' ' ' ILE . . . . . 0.526 ' CG2' ' O ' ' A' ' 580' ' ' ASP . 16.6 pt -158.33 64.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 582' ' ' GLY . . . . . 0.536 ' O ' ' CB ' ' A' ' 583' ' ' SER . . . -68.08 53.31 0.41 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.552 1.157 . . . . 0.0 111.049 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 583' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 582' ' ' GLY . 0.5 OUTLIER 155.36 43.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 0.729 . . . . 0.0 110.034 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 584' ' ' ALA . . . . . 0.426 ' CB ' ' HB ' ' A' ' 581' ' ' ILE . . . -153.49 143.05 21.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 34.5 p -113.62 2.0 15.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.037 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -153.04 138.46 17.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.271 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . 0.556 ' O ' ' CD1' ' A' ' 608' ' ' PHE . 4.2 tt -135.85 133.83 38.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . 0.451 ' OE1' ' ND2' ' A' ' 605' ' ' ASN . 38.3 tt0 -99.5 145.01 27.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.273 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 589' ' ' ALA . . . . . 0.42 ' HA ' ' HA ' ' A' ' 551' ' ' TYR . . . -142.21 144.51 33.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . 0.45 ' CB ' ' ND2' ' A' ' 605' ' ' ASN . . . -131.48 163.16 28.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 591' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -116.4 127.51 54.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 592' ' ' ASN . . . . . 0.483 ' HB3' ' CE3' ' A' ' 598' ' ' TRP . 7.3 p30 -144.32 135.76 25.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -60.22 -54.0 50.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 594' ' ' GLY . . . . . 0.483 ' O ' ' CB ' ' A' ' 595' ' ' ASN . . . 178.36 40.06 0.06 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.133 . . . . 0.0 110.973 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 595' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 594' ' ' GLY . 6.9 t-20 80.5 81.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 596' ' ' ASN . . . . . 0.423 ' CB ' ' O ' ' A' ' 595' ' ' ASN . 0.7 OUTLIER 162.13 -28.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.249 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -139.53 109.14 6.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 598' ' ' TRP . . . . . 0.483 ' CE3' ' HB3' ' A' ' 592' ' ' ASN . 19.9 m95 -116.76 134.82 54.33 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 605' ' ' ASN . . . . . 0.451 ' ND2' ' OE1' ' A' ' 588' ' ' GLU . 1.3 m-20 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 606' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -130.31 147.68 52.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.098 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 3.3 mp -103.2 130.19 50.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 608' ' ' PHE . . . . . 0.556 ' CD1' ' O ' ' A' ' 587' ' ' LEU . 0.0 OUTLIER -128.78 135.97 49.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 111.0 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.08 167.16 19.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 0.0 110.007 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 610' ' ' THR . . . . . 0.482 ' HA ' ' CG1' ' A' ' 536' ' ' VAL . 34.3 p -51.82 165.59 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.413 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 113.21 -142.32 17.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.504 1.127 . . . . 0.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 612' ' ' THR . . . . . 0.407 HG22 ' CB ' ' A' ' 630' ' ' ALA . 19.6 m -113.24 131.95 55.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.75 . . . . 0.0 110.45 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 14.6 m -142.27 157.05 45.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.001 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 614' ' ' THR . . . . . 0.527 ' O ' ' CG2' ' A' ' 626' ' ' ILE . 23.8 m -133.41 136.03 44.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 110.421 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 615' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -120.98 113.7 20.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 44.4 m -117.53 109.72 41.56 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.34 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.134 0 O-C-N 124.483 1.781 . . . . 0.0 111.003 179.954 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 10.2 p . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.418 -0.215 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 626' ' ' ILE . . . . . 0.527 ' CG2' ' O ' ' A' ' 614' ' ' THR . 0.1 OUTLIER -119.36 136.25 57.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.342 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -123.95 121.79 36.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.92 150.66 35.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.407 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 99.63 143.87 15.3 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.588 1.18 . . . . 0.0 110.966 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . 0.407 ' CB ' HG22 ' A' ' 612' ' ' THR . . . -59.03 117.33 20.53 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.473 0.749 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 631' ' ' PRO . . . . . 0.47 ' HG3' ' CG2' ' A' ' 614' ' ' THR . 18.3 Cg_endo -74.99 171.52 18.16 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.479 1.779 . . . . 0.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 632' ' ' SER . . . . . 0.412 ' CB ' HD12 ' A' ' 571' ' ' ILE . 12.4 m . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 110.006 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 534' ' ' ASN . . . . . 0.453 ' HB3' ' CG2' ' A' ' 610' ' ' THR . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 8.5 mtmt -145.56 145.65 31.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . 0.496 ' CG2' ' HB ' ' A' ' 579' ' ' VAL . 0.3 OUTLIER -115.41 113.3 43.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 16.8 m -101.03 123.41 45.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.431 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 2.0 t -126.26 128.53 71.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 539' ' ' TYR . . . . . 0.547 ' CE1' ' HD2' ' A' ' 576' ' ' LYS . 3.5 m-85 -103.09 130.33 50.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 540' ' ' TYR . . . . . 0.612 ' CE1' ' O ' ' A' ' 541' ' ' LYS . 2.2 t80 -118.31 139.69 50.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 111.055 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 541' ' ' LYS . . . . . 0.612 ' O ' ' CE1' ' A' ' 540' ' ' TYR . 4.6 ttpt -91.25 123.75 34.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 542' ' ' LYS . . . . . 0.44 ' HG3' ' CA ' ' A' ' 543' ' ' GLY . 4.0 ttpt -80.41 138.4 36.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 543' ' ' GLY . . . . . 0.44 ' CA ' ' HG3' ' A' ' 542' ' ' LYS . . . 153.77 -128.43 2.4 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.117 . . . . 0.0 110.999 0.016 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -146.48 -88.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.744 . . . . 0.0 111.062 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 545' ' ' ASN . . . . . 0.512 ' O ' ' CB ' ' A' ' 546' ' ' SER . 18.6 m-80 -141.89 23.64 2.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.227 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 546' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 545' ' ' ASN . 1.9 t 87.19 72.87 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 158.21 42.07 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.553 1.817 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -95.41 144.52 25.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . 0.597 HG12 ' CD2' ' A' ' 551' ' ' TYR . 0.5 OUTLIER -116.56 142.88 28.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 550' ' ' HIS . . . . . 0.59 ' CD2' ' HB3' ' A' ' 561' ' ' ALA . 1.2 t60 -129.38 117.05 19.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.597 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 551' ' ' TYR . . . . . 0.597 ' CD2' HG12 ' A' ' 549' ' ' ILE . 0.5 OUTLIER -129.14 161.21 30.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 552' ' ' ARG . . . . . 0.475 ' CZ ' ' HA2' ' A' ' 555' ' ' GLY . 0.2 OUTLIER -142.19 153.0 62.72 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 553' ' ' PRO . . . . . 0.723 ' O ' ' C ' ' A' ' 554' ' ' ALA . 18.4 Cg_endo -74.99 135.47 19.14 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.464 1.771 . . . . 0.0 111.051 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . 0.723 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -0.11 81.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 555' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 553' ' ' PRO . . . 33.57 70.94 0.12 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 553' ' ' PRO . . . -125.62 -94.51 0.97 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 557' ' ' SER . . . . . 0.431 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 0.0 OUTLIER -113.75 139.14 49.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 0.0 110.032 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 558' ' ' TRP . . . . . 0.44 ' NE1' ' HD3' ' A' ' 552' ' ' ARG . 55.3 m95 -97.57 103.32 15.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 108.022 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 559' ' ' THR . . . . . 0.416 ' O ' ' O ' ' A' ' 558' ' ' TRP . 39.0 m -43.09 167.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 110.396 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -61.75 107.75 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 561' ' ' ALA . . . . . 0.59 ' HB3' ' CD2' ' A' ' 550' ' ' HIS . . . -70.05 133.32 87.94 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 562' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 561' ' ' ALA . 18.3 Cg_endo -74.98 144.62 81.54 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.039 -2.484 . . . . 0.0 110.982 -0.025 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 563' ' ' GLY . . . . . 0.487 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -38.2 -98.23 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 564' ' ' VAL . . . . . 0.509 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.6 t -136.88 157.71 36.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 0.751 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 565' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 566' ' ' MET . 0.0 OUTLIER -86.91 120.88 28.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 566' ' ' MET . . . . . 0.537 ' SD ' ' CG2' ' A' ' 577' ' ' ILE . 4.2 mmt -32.16 119.84 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . 0.451 ' O ' ' O ' ' A' ' 576' ' ' LYS . 0.2 OUTLIER -87.94 116.86 26.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -42.15 146.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -88.33 -147.45 0.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -125.91 7.79 7.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.306 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 571' ' ' ILE . . . . . . . . . . . . . 6.1 mm -80.09 -85.64 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 169.1 93.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.984 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 90.59 9.15 64.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.444 1.09 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.95 157.22 17.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 0.742 . . . . 0.0 111.001 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 575' ' ' ALA . . . . . 0.404 ' HB2' ' SD ' ' A' ' 566' ' ' MET . . . -118.11 155.24 30.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 576' ' ' LYS . . . . . 0.547 ' HD2' ' CE1' ' A' ' 539' ' ' TYR . 1.8 pttm -154.1 146.96 24.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 577' ' ' ILE . . . . . 0.556 ' O ' ' CD1' ' A' ' 577' ' ' ILE . 0.0 OUTLIER -134.82 147.73 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 578' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 3.7 m -127.16 130.98 50.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.422 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . 0.496 ' HB ' ' CG2' ' A' ' 536' ' ' VAL . 2.7 t -129.88 128.95 65.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 580' ' ' ASP . . . . . 0.401 ' HA ' ' O ' ' A' ' 534' ' ' ASN . 0.1 OUTLIER -79.24 141.29 37.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 581' ' ' ILE . . . . . 0.481 ' CD1' HG23 ' A' ' 610' ' ' THR . 42.4 pt -143.82 54.09 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 582' ' ' GLY . . . . . 0.494 ' O ' ' CB ' ' A' ' 583' ' ' SER . . . -68.14 58.87 0.4 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 583' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 582' ' ' GLY . 2.9 p 159.84 -24.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 110.019 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 584' ' ' ALA . . . . . . . . . . . . . . . -97.53 140.84 31.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.45 -3.69 25.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.01 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -151.22 138.31 19.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 1.1 tt -133.29 133.84 43.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . 0.426 ' HA ' ' O ' ' A' ' 606' ' ' TYR . 1.7 pm0 -94.57 142.71 27.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 589' ' ' ALA . . . . . 0.505 ' CB ' ' HB3' ' A' ' 551' ' ' TYR . . . -138.48 138.97 38.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 109.255 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -121.25 161.61 21.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.263 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 591' ' ' PHE . . . . . 0.756 ' CD1' ' CZ ' ' A' ' 615' ' ' TYR . 3.5 m-85 -121.97 129.46 52.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 592' ' ' ASN . . . . . 0.493 ' HB3' ' CE3' ' A' ' 598' ' ' TRP . 8.5 p30 -142.29 142.52 32.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -63.04 -30.45 71.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 594' ' ' GLY . . . . . 0.451 ' O ' ' ND2' ' A' ' 595' ' ' ASN . . . 169.08 -37.54 0.2 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 595' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 594' ' ' GLY . 1.1 m-80 159.89 79.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 6.5 t30 173.2 -35.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.346 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -127.08 88.56 2.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 598' ' ' TRP . . . . . 0.493 ' CE3' ' HB3' ' A' ' 592' ' ' ASN . 65.2 m95 -97.01 123.78 40.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 108.015 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.956 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 606' ' ' TYR . . . . . 0.583 ' HB3' ' CE1' ' A' ' 608' ' ' PHE . 89.7 m-85 -121.62 130.14 53.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -100.62 124.78 46.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 608' ' ' PHE . . . . . 0.583 ' CE1' ' HB3' ' A' ' 606' ' ' TYR . 13.2 m-85 -122.44 148.67 44.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 609' ' ' SER . . . . . 0.402 ' C ' HG11 ' A' ' 536' ' ' VAL . 33.3 t -111.17 170.69 7.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.0 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 610' ' ' THR . . . . . 0.481 HG23 ' CD1' ' A' ' 581' ' ' ILE . 40.8 p -55.84 161.58 2.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 110.393 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 116.1 -132.81 10.42 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 612' ' ' THR . . . . . 0.456 ' CG2' ' HA ' ' A' ' 630' ' ' ALA . 24.4 m -128.34 130.29 47.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 0.784 . . . . 0.0 110.409 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 53.3 m -140.99 157.7 44.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.038 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 614' ' ' THR . . . . . 0.476 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 3.2 m -133.55 113.42 12.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.388 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 615' ' ' TYR . . . . . 0.756 ' CZ ' ' CD1' ' A' ' 591' ' ' PHE . 0.0 OUTLIER -97.34 114.15 25.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 75.7 m -118.5 111.11 38.29 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 0.0 110.418 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.481 1.779 . . . . 0.0 111.017 179.955 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 10.8 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 626' ' ' ILE . . . . . 0.514 HG12 ' CE1' ' A' ' 608' ' ' PHE . 0.1 OUTLIER -119.97 125.19 74.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.263 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.51 123.56 49.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.93 148.91 37.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.376 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 105.58 142.17 11.0 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . 0.456 ' HA ' ' CG2' ' A' ' 612' ' ' THR . . . -59.84 121.14 55.89 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 631' ' ' PRO . . . . . 0.457 ' HG3' ' CG2' ' A' ' 614' ' ' THR . 18.5 Cg_endo -74.97 154.51 42.68 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.446 1.761 . . . . 0.0 111.046 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 80.8 p . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.983 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 534' ' ' ASN . . . . . 0.48 ' HB2' ' CG1' ' A' ' 581' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 25.6 mtpt -143.24 152.22 41.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -115.26 126.03 72.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 93.6 m -107.11 125.66 51.36 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.135 . . . . 0.0 110.396 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 2.1 t -126.6 132.41 70.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 539' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -101.67 138.42 38.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 540' ' ' TYR . . . . . 0.739 ' CD1' ' CE2' ' A' ' 615' ' ' TYR . 14.6 t80 -127.01 139.36 53.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -89.67 113.46 24.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 542' ' ' LYS . . . . . 0.524 ' CE ' ' N ' ' A' ' 543' ' ' GLY . 0.0 OUTLIER -87.0 126.9 35.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.25 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 543' ' ' GLY . . . . . 0.524 ' N ' ' CE ' ' A' ' 542' ' ' LYS . . . 162.23 -126.51 1.57 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 0.0 111.037 -0.058 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -130.54 -46.7 1.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 0.776 . . . . 0.0 111.01 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 4.6 p30 177.21 -43.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 546' ' ' SER . . . . . 0.45 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 0.7 OUTLIER 179.94 62.19 0.11 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.024 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 547' ' ' PRO . . . . . 0.45 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.1 Cg_endo -75.02 146.9 33.13 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.494 1.786 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 548' ' ' TYR . . . . . 0.433 ' CE2' ' HB3' ' A' ' 565' ' ' LYS . 3.6 m-85 -105.33 162.09 13.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 111.051 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . 0.571 HG12 ' CE2' ' A' ' 551' ' ' TYR . 0.5 OUTLIER -126.82 142.27 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.343 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -130.9 116.2 17.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.563 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 551' ' ' TYR . . . . . 0.571 ' CE2' HG12 ' A' ' 549' ' ' ILE . 0.2 OUTLIER -120.03 160.41 22.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 552' ' ' ARG . . . . . 0.578 ' HD3' ' CD1' ' A' ' 558' ' ' TRP . 0.3 OUTLIER -138.71 132.61 16.35 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.284 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 553' ' ' PRO . . . . . 0.527 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.3 Cg_endo -75.02 158.62 42.03 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.524 1.802 . . . . 0.0 110.963 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -50.85 -22.81 2.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.26 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -55.93 -18.0 17.4 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . 0.416 ' C ' ' HD2' ' A' ' 552' ' ' ARG . . . 84.71 27.72 34.26 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 557' ' ' SER . . . . . 0.527 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 0.5 OUTLIER -104.13 150.6 24.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 0.779 . . . . 0.0 109.995 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 558' ' ' TRP . . . . . 0.578 ' CD1' ' HD3' ' A' ' 552' ' ' ARG . 86.0 m95 -124.09 99.35 6.2 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 52.8 m -44.75 169.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.422 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 560' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -57.41 108.81 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 561' ' ' ALA . . . . . 0.479 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -77.07 132.62 70.36 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.448 1.093 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 562' ' ' PRO . . . . . 0.522 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.3 Cg_endo -75.01 145.02 82.77 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.942 -2.524 . . . . 0.0 111.015 -0.057 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 563' ' ' GLY . . . . . 0.522 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -36.63 -99.31 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.44 1.088 . . . . 0.0 110.977 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 564' ' ' VAL . . . . . 0.551 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 2.8 t -137.97 159.68 33.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 565' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 566' ' ' MET . 0.0 OUTLIER -86.13 122.85 30.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.338 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 566' ' ' MET . . . . . 0.46 ' SD ' ' CG2' ' A' ' 549' ' ' ILE . 0.0 OUTLIER -34.21 128.42 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 111.02 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . 0.458 ' O ' ' O ' ' A' ' 576' ' ' LYS . 1.3 mm-40 -96.45 112.31 24.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 567' ' ' GLN . 0.2 OUTLIER -38.17 144.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -91.29 -143.5 0.18 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -129.43 9.78 5.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 571' ' ' ILE . . . . . 0.401 ' O ' ' CB ' ' A' ' 572' ' ' SER . 46.9 mm -79.31 -84.69 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 572' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 571' ' ' ILE . 0.3 OUTLIER 166.3 91.78 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.142 . . . . 0.0 110.01 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 91.77 6.93 65.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.551 1.157 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . 0.404 ' CE2' ' OG ' ' A' ' 632' ' ' SER . 0.2 OUTLIER -103.91 155.7 18.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 0.737 . . . . 0.0 110.995 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 575' ' ' ALA . . . . . . . . . . . . . . . -115.75 157.12 24.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 576' ' ' LYS . . . . . 0.458 ' O ' ' O ' ' A' ' 567' ' ' GLN . 6.3 ptmt -153.94 140.36 18.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 577' ' ' ILE . . . . . 0.564 ' O ' ' CD1' ' A' ' 577' ' ' ILE . 0.0 OUTLIER -132.25 147.68 32.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 578' ' ' THR . . . . . . . . . . . . . 68.8 m -123.05 135.43 54.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.418 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . 0.437 HG13 ' CD1' ' A' ' 587' ' ' LEU . 3.5 t -130.08 118.88 45.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 580' ' ' ASP . . . . . 0.477 ' HD2' ' N ' ' A' ' 582' ' ' GLY . 3.7 t0 -86.02 148.87 25.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 581' ' ' ILE . . . . . 0.502 ' CD1' ' O ' ' A' ' 584' ' ' ALA . 1.6 pt -128.07 -34.26 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 582' ' ' GLY . . . . . 0.477 ' N ' ' HD2' ' A' ' 580' ' ' ASP . . . 82.71 -53.49 4.84 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.433 1.083 . . . . 0.0 111.0 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 583' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 584' ' ' ALA . 0.4 OUTLIER -129.39 -46.99 1.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 110.021 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 584' ' ' ALA . . . . . 0.502 ' O ' ' CD1' ' A' ' 581' ' ' ILE . . . -37.67 140.1 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 89.1 p -113.39 5.81 16.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -146.48 138.62 24.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.261 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . 0.476 HD12 ' CG2' ' A' ' 581' ' ' ILE . 2.4 tt -149.11 134.85 18.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . 0.46 ' CB ' ' O ' ' A' ' 606' ' ' TYR . 2.6 pm0 -99.41 143.06 30.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 589' ' ' ALA . . . . . 0.408 ' HA ' ' HA ' ' A' ' 551' ' ' TYR . . . -131.7 134.07 45.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . 0.408 ' C ' ' CD1' ' A' ' 591' ' ' PHE . . . -118.85 159.47 23.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 591' ' ' PHE . . . . . 0.569 ' CE2' ' CD1' ' A' ' 615' ' ' TYR . 0.3 OUTLIER -119.15 127.64 53.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.972 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 592' ' ' ASN . . . . . 0.428 ' HB2' ' NE1' ' A' ' 598' ' ' TRP . 10.2 p-10 -147.43 137.52 23.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 -75.73 -29.33 58.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 106.15 46.55 1.15 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -162.66 -40.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 171.94 -29.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -59.58 88.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 598' ' ' TRP . . . . . 0.428 ' NE1' ' HB2' ' A' ' 592' ' ' ASN . 11.7 m95 -113.81 146.82 39.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 107.981 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.97 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 606' ' ' TYR . . . . . 0.46 ' O ' ' CB ' ' A' ' 588' ' ' GLU . 20.7 m-85 -105.1 162.02 13.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 3.8 mt -130.5 120.84 24.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 608' ' ' PHE . . . . . 0.435 ' CZ ' ' HB ' ' A' ' 626' ' ' ILE . 28.3 m-85 -141.44 157.31 45.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 8.6 t -110.78 164.05 13.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.045 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 610' ' ' THR . . . . . 0.429 ' CG2' HD12 ' A' ' 581' ' ' ILE . 57.1 p -39.15 158.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.382 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 129.47 -137.24 9.43 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.463 1.102 . . . . 0.0 111.046 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 612' ' ' THR . . . . . 0.418 HG21 ' N ' ' A' ' 630' ' ' ALA . 91.8 m -126.04 131.3 52.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.766 . . . . 0.0 110.421 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 3.9 p -142.25 157.8 44.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.04 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 614' ' ' THR . . . . . 0.482 ' CG2' ' HG3' ' A' ' 631' ' ' PRO . 12.1 m -134.66 114.36 12.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.42 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 615' ' ' TYR . . . . . 0.739 ' CE2' ' CD1' ' A' ' 540' ' ' TYR . 0.0 OUTLIER -99.69 114.63 27.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 111.022 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 85.7 m -117.58 109.73 41.45 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.415 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . 0.465 ' HD3' ' CE1' ' A' ' 615' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.419 1.747 . . . . 0.0 110.969 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 12.6 p . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 626' ' ' ILE . . . . . 0.446 ' HA ' ' O ' ' A' ' 614' ' ' THR . 0.1 OUTLIER -120.49 126.66 75.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -115.58 128.59 56.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.03 147.38 38.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 110.378 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 112.24 139.91 7.81 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . 0.418 ' N ' HG21 ' A' ' 612' ' ' THR . . . -61.31 119.82 49.63 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.486 0.757 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 631' ' ' PRO . . . . . 0.482 ' HG3' ' CG2' ' A' ' 614' ' ' THR . 18.3 Cg_endo -75.03 -177.18 3.3 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.483 1.78 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 632' ' ' SER . . . . . 0.404 ' OG ' ' CE2' ' A' ' 574' ' ' TYR . 12.6 m . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.021 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 534' ' ' ASN . . . . . 0.464 ' HB3' ' CG2' ' A' ' 610' ' ' THR . 1.4 m-20 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -145.81 150.49 36.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 578' ' ' THR . 0.2 OUTLIER -118.78 120.39 63.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 22.9 m -102.58 121.99 43.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 110.414 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 1.7 t -127.07 131.56 70.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 539' ' ' TYR . . . . . 0.573 ' CD2' ' HG2' ' A' ' 631' ' ' PRO . 3.5 m-85 -106.31 128.44 53.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 540' ' ' TYR . . . . . 0.615 ' HB2' ' CD2' ' A' ' 615' ' ' TYR . 2.3 t80 -119.32 139.64 51.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 541' ' ' LYS . . . . . 0.43 ' N ' ' CD1' ' A' ' 540' ' ' TYR . 1.5 tttt -92.11 112.37 24.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 542' ' ' LYS . . . . . 0.482 ' HA ' ' HA3' ' A' ' 543' ' ' GLY . 0.0 OUTLIER -104.86 143.88 32.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 543' ' ' GLY . . . . . 0.482 ' HA3' ' HA ' ' A' ' 542' ' ' LYS . . . 137.37 -132.6 6.02 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.461 1.101 . . . . 0.0 110.97 0.029 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . 0.431 ' CZ ' ' OD2' ' A' ' 593' ' ' ASP . 30.7 m-85 -91.8 -168.25 1.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 110.979 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -95.29 6.03 50.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 12.1 p 171.46 65.24 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.98 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 144.81 30.57 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.526 1.803 . . . . 0.0 111.019 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -124.13 148.66 47.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.019 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . 0.576 HG12 ' CD2' ' A' ' 551' ' ' TYR . 1.2 tt -126.69 144.09 38.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 550' ' ' HIS . . . . . 0.488 ' CD2' ' HB2' ' A' ' 561' ' ' ALA . 0.8 OUTLIER -129.74 116.3 18.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.58 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 551' ' ' TYR . . . . . 0.576 ' CD2' HG12 ' A' ' 549' ' ' ILE . 0.3 OUTLIER -127.79 161.86 28.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.961 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 552' ' ' ARG . . . . . 0.559 ' HD2' ' CE2' ' A' ' 558' ' ' TRP . 0.6 OUTLIER -139.61 153.97 70.83 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.274 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 553' ' ' PRO . . . . . 0.707 ' O ' ' C ' ' A' ' 554' ' ' ALA . 18.3 Cg_endo -74.95 133.76 17.06 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.508 1.793 . . . . 0.0 111.007 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . 0.707 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . 3.56 76.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 555' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 553' ' ' PRO . . . 34.04 72.94 0.09 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 553' ' ' PRO . . . -128.06 -91.47 0.71 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 557' ' ' SER . . . . . 0.45 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 0.0 OUTLIER -114.69 138.26 50.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 0.787 . . . . 0.0 110.011 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 558' ' ' TRP . . . . . 0.559 ' CE2' ' HD2' ' A' ' 552' ' ' ARG . 43.6 m95 -91.02 105.88 18.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 107.973 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 559' ' ' THR . . . . . 0.415 ' O ' ' CE1' ' A' ' 550' ' ' HIS . 18.1 m -44.04 169.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.37 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 560' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -63.38 109.34 1.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 561' ' ' ALA . . . . . 0.499 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -74.5 133.86 76.82 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 562' ' ' PRO . . . . . 0.504 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.1 Cg_endo -75.0 147.25 88.82 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.995 -0.038 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 563' ' ' GLY . . . . . 0.504 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -41.75 -101.64 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.536 1.147 . . . . 0.0 111.022 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 564' ' ' VAL . . . . . 0.516 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.9 t -136.19 158.79 38.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.511 0.771 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 565' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 566' ' ' MET . 0.7 OUTLIER -88.01 116.31 26.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 566' ' ' MET . . . . . 0.513 ' SD ' ' CG2' ' A' ' 549' ' ' ILE . 0.0 OUTLIER -32.89 130.46 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 110.966 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 576' ' ' LYS . 4.0 mt-30 -93.14 117.9 30.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.356 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -46.39 134.07 9.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.547 ' HB2' ' CE2' ' A' ' 539' ' ' TYR . . . -76.31 -151.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -123.98 28.93 6.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 571' ' ' ILE . . . . . . . . . . . . . 4.4 mm -105.28 -84.92 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 168.67 105.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.997 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 79.86 9.7 86.46 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -105.21 157.66 17.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 575' ' ' ALA . . . . . 0.476 ' CB ' ' HG2' ' A' ' 566' ' ' MET . . . -120.59 157.93 28.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 576' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 567' ' ' GLN . 0.0 OUTLIER -156.03 145.1 20.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 577' ' ' ILE . . . . . 0.565 ' O ' ' CD1' ' A' ' 577' ' ' ILE . 0.0 OUTLIER -142.26 147.82 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 578' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 3.6 m -123.24 132.55 54.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.117 . . . . 0.0 110.374 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 58.6 t -129.92 127.54 63.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 580' ' ' ASP . . . . . 0.43 ' O ' ' CG2' ' A' ' 581' ' ' ILE . 28.7 t70 -80.15 150.0 30.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 581' ' ' ILE . . . . . 0.471 ' CD1' HG22 ' A' ' 610' ' ' THR . 39.9 pt -153.99 51.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -54.4 -18.68 10.52 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.85 45.27 2.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 0.776 . . . . 0.0 109.974 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 584' ' ' ALA . . . . . . . . . . . . . . . -163.49 141.2 7.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 32.9 p -110.26 0.45 18.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 110.007 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -149.13 138.43 21.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . 0.446 ' CD1' ' O ' ' A' ' 552' ' ' ARG . 2.1 tp -137.1 130.95 31.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 606' ' ' TYR . 1.7 pm0 -97.76 142.3 29.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 589' ' ' ALA . . . . . 0.504 ' CB ' ' HB3' ' A' ' 551' ' ' TYR . . . -138.79 139.18 38.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . 0.427 ' C ' ' CD1' ' A' ' 591' ' ' PHE . . . -120.59 163.99 17.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 591' ' ' PHE . . . . . 0.809 ' CZ ' ' CD1' ' A' ' 615' ' ' TYR . 0.4 OUTLIER -123.57 127.81 48.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 592' ' ' ASN . . . . . 0.421 ' HB3' ' CD2' ' A' ' 598' ' ' TRP . 5.4 p30 -155.61 135.75 12.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . 0.431 ' OD2' ' CZ ' ' A' ' 544' ' ' PHE . 0.5 OUTLIER -71.61 -17.78 62.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 100.61 -9.86 58.95 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.52 1.137 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -94.94 41.28 1.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 0.776 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 29.8 m120 63.28 23.22 13.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -112.29 91.06 3.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 598' ' ' TRP . . . . . 0.421 ' CD2' ' HB3' ' A' ' 592' ' ' ASN . 19.6 m95 -104.19 152.52 22.06 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.979 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 606' ' ' TYR . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 608' ' ' PHE . 34.3 m-85 -130.28 162.29 29.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.992 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 5.1 mp -115.95 124.33 50.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 608' ' ' PHE . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 606' ' ' TYR . 7.8 m-85 -122.53 147.13 46.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 42.5 t -111.4 164.62 12.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.998 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 610' ' ' THR . . . . . 0.471 HG22 ' CD1' ' A' ' 581' ' ' ILE . 32.4 p -48.38 157.84 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 110.333 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 117.67 -157.35 15.17 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.432 1.082 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 612' ' ' THR . . . . . . . . . . . . . 2.4 m -104.59 128.3 52.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 0.74 . . . . 0.0 110.38 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 67.7 p -142.62 157.94 44.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.979 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 614' ' ' THR . . . . . 0.448 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 2.3 m -133.51 113.0 11.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.417 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 615' ' ' TYR . . . . . 0.809 ' CD1' ' CZ ' ' A' ' 591' ' ' PHE . 0.0 OUTLIER -97.16 115.22 27.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 89.5 m -116.7 110.72 41.98 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.359 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . 0.524 ' HD3' ' CE1' ' A' ' 615' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.197 0 O-C-N 124.473 1.775 . . . . 0.0 110.986 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 9.4 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 626' ' ' ILE . . . . . 0.482 HG12 ' CE1' ' A' ' 608' ' ' PHE . 0.1 OUTLIER -120.94 126.86 75.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -111.27 122.66 48.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.309 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.71 148.07 37.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.437 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 112.46 143.76 9.03 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.467 1.104 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -59.68 128.36 86.3 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 631' ' ' PRO . . . . . 0.573 ' HG2' ' CD2' ' A' ' 539' ' ' TYR . 18.5 Cg_endo -74.96 162.97 36.33 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.532 1.807 . . . . 0.0 111.018 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 80.5 p . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.997 179.953 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 535' ' ' LYS . . . . . 0.452 ' HB3' ' CG2' ' A' ' 578' ' ' THR . 39.9 mtmt -145.38 160.9 40.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . 0.511 ' O ' ' HA ' ' A' ' 578' ' ' THR . 6.3 p -128.81 134.88 63.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 21.7 m -101.55 124.14 46.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.381 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 538' ' ' VAL . . . . . 0.45 ' HB ' ' CD1' ' A' ' 577' ' ' ILE . 1.4 t -126.98 127.12 69.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 539' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -111.83 125.79 54.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 540' ' ' TYR . . . . . 0.525 ' CE1' ' O ' ' A' ' 541' ' ' LYS . 5.4 t80 -107.68 140.55 40.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 111.009 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 541' ' ' LYS . . . . . 0.525 ' O ' ' CE1' ' A' ' 540' ' ' TYR . 12.3 tttt -96.11 134.03 39.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 542' ' ' LYS . . . . . 0.518 ' CG ' ' O ' ' A' ' 544' ' ' PHE . 21.3 ttmt -97.96 109.8 22.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 543' ' ' GLY . . . . . 0.489 ' HA3' ' O ' ' A' ' 541' ' ' LYS . . . 92.23 176.28 42.05 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 0.085 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . 0.518 ' O ' ' CG ' ' A' ' 542' ' ' LYS . 72.0 m-85 -50.24 -174.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 0.753 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 545' ' ' ASN . . . . . 0.463 ' H ' ' ND2' ' A' ' 545' ' ' ASN . 1.5 p30 -72.86 -56.15 5.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 78.5 p -177.76 76.61 0.23 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.043 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 141.74 26.98 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.503 1.791 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 548' ' ' TYR . . . . . 0.502 ' CZ ' ' HB2' ' A' ' 565' ' ' LYS . 7.7 m-85 -79.74 142.75 35.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . 0.7 ' CG1' ' CE2' ' A' ' 551' ' ' TYR . 0.0 OUTLIER -117.48 140.21 41.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.345 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -124.47 120.28 31.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.613 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 551' ' ' TYR . . . . . 0.7 ' CE2' ' CG1' ' A' ' 549' ' ' ILE . 0.1 OUTLIER -134.3 160.71 37.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 111.0 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 552' ' ' ARG . . . . . 0.523 ' HB3' ' CD2' ' A' ' 558' ' ' TRP . 0.0 OUTLIER -145.8 164.05 27.79 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 553' ' ' PRO . . . . . 0.477 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.5 Cg_endo -74.93 160.39 40.41 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.534 1.808 . . . . 0.0 111.014 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -35.56 -67.29 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -137.1 83.45 0.26 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.121 . . . . 0.0 110.947 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -142.61 -92.87 0.18 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 557' ' ' SER . . . . . 0.492 ' O ' ' HB2' ' A' ' 552' ' ' ARG . 37.6 t -162.53 169.25 20.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 0.745 . . . . 0.0 109.993 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 558' ' ' TRP . . . . . 0.523 ' CD2' ' HB3' ' A' ' 552' ' ' ARG . 76.0 m95 -100.05 143.64 30.02 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 93.0 m -71.22 175.45 5.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 560' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -68.1 108.01 2.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 561' ' ' ALA . . . . . 0.506 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -66.47 133.99 94.42 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 562' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 561' ' ' ALA . 18.4 Cg_endo -74.92 146.85 87.81 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 121.047 -2.48 . . . . 0.0 111.001 -0.11 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 563' ' ' GLY . . . . . 0.482 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -37.37 -97.83 0.01 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.454 1.096 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 564' ' ' VAL . . . . . 0.429 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.4 t -136.88 158.02 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.455 0.738 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 565' ' ' LYS . . . . . 0.502 ' HB2' ' CZ ' ' A' ' 548' ' ' TYR . 1.0 OUTLIER -94.89 111.65 23.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 566' ' ' MET . . . . . 0.516 ' SD ' ' CG2' ' A' ' 577' ' ' ILE . 0.1 OUTLIER -35.87 129.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . 0.444 ' O ' ' O ' ' A' ' 576' ' ' LYS . 0.0 OUTLIER -102.52 124.8 48.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.276 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.94 150.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -88.27 -139.63 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -131.73 5.81 4.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 571' ' ' ILE . . . . . . . . . . . . . 23.4 mt -81.27 -87.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 171.63 94.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.977 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 91.27 8.26 64.64 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -103.44 159.37 15.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.476 0.751 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 575' ' ' ALA . . . . . 0.461 ' CB ' ' HB3' ' A' ' 540' ' ' TYR . . . -116.3 154.89 29.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 576' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' A' ' 567' ' ' GLN . 8.0 ptmt -153.67 134.39 13.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.243 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 577' ' ' ILE . . . . . 0.537 ' O ' ' CD1' ' A' ' 577' ' ' ILE . 0.0 OUTLIER -144.07 147.33 19.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 578' ' ' THR . . . . . 0.511 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 99.5 m -118.72 139.24 51.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.349 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . 0.581 HG23 ' CE2' ' A' ' 551' ' ' TYR . 85.2 t -131.93 135.17 59.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 580' ' ' ASP . . . . . 0.41 ' HA ' ' HA ' ' A' ' 535' ' ' LYS . 6.1 t70 -92.31 148.34 22.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 581' ' ' ILE . . . . . 0.545 ' CD1' ' CG2' ' A' ' 610' ' ' THR . 1.1 pt -112.44 -21.41 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . 38.6 88.66 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 70.12 59.98 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 0.747 . . . . 0.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 584' ' ' ALA . . . . . 0.501 ' CB ' ' HB ' ' A' ' 581' ' ' ILE . . . -164.24 145.83 8.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.18 6.35 16.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.959 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -151.36 138.98 19.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.317 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . 0.455 ' HB2' ' CG2' ' A' ' 581' ' ' ILE . 0.0 OUTLIER -146.95 137.91 23.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . 0.425 ' HA ' ' O ' ' A' ' 606' ' ' TYR . 3.1 pm0 -93.26 143.76 25.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 0.0 110.34 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 589' ' ' ALA . . . . . 0.522 ' CB ' ' HB3' ' A' ' 551' ' ' TYR . . . -138.88 146.99 41.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -133.3 162.75 30.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 591' ' ' PHE . . . . . 0.808 ' CE1' ' CD1' ' A' ' 615' ' ' TYR . 1.0 OUTLIER -124.0 138.22 54.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 111.036 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 592' ' ' ASN . . . . . 0.589 ' OD1' ' CE3' ' A' ' 598' ' ' TRP . 0.9 OUTLIER -150.27 155.84 40.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 29.4 p-10 -82.72 -29.44 29.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . -172.6 -52.1 0.04 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 14.7 t30 168.96 69.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 176.63 -44.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -100.16 83.67 2.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 598' ' ' TRP . . . . . 0.589 ' CE3' ' OD1' ' A' ' 592' ' ' ASN . 33.4 m95 -93.7 127.61 39.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.559 1.162 . . . . 0.0 108.014 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.336 179.982 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 606' ' ' TYR . . . . . 0.59 ' HB2' ' CZ ' ' A' ' 608' ' ' PHE . 79.7 m-85 -124.42 163.22 22.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.56 1.163 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . 0.528 ' N ' ' CD2' ' A' ' 607' ' ' LEU . 0.1 OUTLIER -108.55 130.77 55.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 608' ' ' PHE . . . . . 0.59 ' CZ ' ' HB2' ' A' ' 606' ' ' TYR . 40.5 m-85 -128.58 144.51 51.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.147 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 43.5 t -112.83 169.59 8.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.113 . . . . 0.0 110.026 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 610' ' ' THR . . . . . 0.545 ' CG2' ' CD1' ' A' ' 581' ' ' ILE . 51.2 p -58.27 165.83 1.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.418 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 114.49 -126.45 7.28 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.519 1.137 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 612' ' ' THR . . . . . 0.459 HG22 ' CB ' ' A' ' 630' ' ' ALA . 1.5 m -126.78 134.37 50.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 0.785 . . . . 0.0 110.407 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.32 157.75 44.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.011 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 614' ' ' THR . . . . . 0.495 ' O ' ' CG2' ' A' ' 626' ' ' ILE . 84.8 m -132.64 131.36 41.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.436 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 615' ' ' TYR . . . . . 0.808 ' CD1' ' CE1' ' A' ' 591' ' ' PHE . 0.2 OUTLIER -109.51 116.45 31.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.082 . . . . 0.0 111.0 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 52.4 m -120.15 89.91 43.76 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 110.396 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . 0.577 ' HG3' ' CD2' ' A' ' 591' ' ' PHE . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.198 0 O-C-N 124.484 1.781 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 626' ' ' ILE . . . . . 0.495 ' CG2' ' O ' ' A' ' 614' ' ' THR . 0.1 OUTLIER -121.89 134.25 65.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.01 121.7 41.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.78 148.77 36.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.435 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 106.63 140.74 9.92 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . 0.459 ' CB ' HG22 ' A' ' 612' ' ' THR . . . -60.6 119.37 43.15 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.458 0.74 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 167.22 27.55 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.531 1.806 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.969 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 534' ' ' ASN . . . . . 0.469 ' O ' ' HG3' ' A' ' 535' ' ' LYS . 1.9 m-20 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 535' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 534' ' ' ASN . 5.1 mtpp -139.76 156.13 46.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . 0.481 ' CG2' ' HB ' ' A' ' 579' ' ' VAL . 2.6 m -125.04 119.24 55.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 3.9 m -101.25 122.78 44.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.394 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 1.4 t -127.06 128.63 70.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 0.0 109.338 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 539' ' ' TYR . . . . . 0.435 ' CE2' ' HB1' ' A' ' 569' ' ' ALA . 7.3 m-85 -104.8 131.06 52.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 540' ' ' TYR . . . . . 0.643 ' CD1' ' CE2' ' A' ' 591' ' ' PHE . 81.2 t80 -115.27 138.73 50.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -88.7 113.85 24.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 542' ' ' LYS . . . . . 0.429 ' HA ' ' HA3' ' A' ' 543' ' ' GLY . 7.4 ttpt -93.65 139.44 30.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 543' ' ' GLY . . . . . 0.429 ' HA3' ' HA ' ' A' ' 542' ' ' LYS . . . 155.83 -134.03 3.96 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.453 1.096 . . . . 0.0 110.997 0.04 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -118.48 -75.82 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.55 -50.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 546' ' ' SER . . . . . 0.44 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 0.4 OUTLIER -168.35 62.58 0.54 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.042 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 547' ' ' PRO . . . . . 0.44 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.3 Cg_endo -75.03 148.82 35.67 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.452 1.764 . . . . 0.0 110.949 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 548' ' ' TYR . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 565' ' ' LYS . 2.1 m-85 -104.03 160.91 14.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 111.003 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . 0.516 HG12 ' CD2' ' A' ' 551' ' ' TYR . 0.2 OUTLIER -128.8 142.74 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 550' ' ' HIS . . . . . 0.548 ' CD2' ' HB1' ' A' ' 561' ' ' ALA . 1.0 OUTLIER -124.09 116.43 22.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.557 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 551' ' ' TYR . . . . . 0.547 ' CE2' HD13 ' A' ' 577' ' ' ILE . 0.2 OUTLIER -126.47 160.77 29.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.933 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 552' ' ' ARG . . . . . 0.603 ' HD3' ' CD1' ' A' ' 558' ' ' TRP . 0.3 OUTLIER -145.02 151.06 47.81 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.248 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 553' ' ' PRO . . . . . 0.487 ' O ' ' C ' ' A' ' 554' ' ' ALA . 18.3 Cg_endo -75.0 154.04 42.19 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.479 1.778 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . 0.487 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -32.53 -73.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -124.23 86.28 0.37 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.537 1.148 . . . . 0.0 111.025 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -146.96 -91.05 0.1 OUTLIER Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 557' ' ' SER . . . . . 0.485 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 29.5 t -167.85 -178.86 3.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 0.0 109.979 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 558' ' ' TRP . . . . . 0.603 ' CD1' ' HD3' ' A' ' 552' ' ' ARG . 64.9 m95 -109.95 114.84 28.71 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 8.7 m -47.21 173.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.41 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 560' ' ' ALA . . . . . 0.428 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -71.61 107.51 4.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 561' ' ' ALA . . . . . 0.548 ' HB1' ' CD2' ' A' ' 550' ' ' HIS . . . -69.29 134.66 89.06 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 562' ' ' PRO . . . . . 0.521 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.2 Cg_endo -75.0 149.71 94.28 Favored 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 120.998 -2.501 . . . . 0.0 110.98 0.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 563' ' ' GLY . . . . . 0.521 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -44.8 -105.81 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.467 1.105 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 564' ' ' VAL . . . . . 0.497 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.2 t -136.83 158.17 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 0.759 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 565' ' ' LYS . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 548' ' ' TYR . 0.6 OUTLIER -82.99 117.93 23.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 566' ' ' MET . . . . . 0.486 ' HG2' ' CG2' ' A' ' 549' ' ' ILE . 0.7 OUTLIER -33.43 148.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 111.013 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . 0.462 ' O ' ' O ' ' A' ' 576' ' ' LYS . 0.6 OUTLIER -109.57 111.85 23.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 567' ' ' GLN . 0.0 OUTLIER -38.2 146.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.435 ' HB1' ' CE2' ' A' ' 539' ' ' TYR . . . -90.48 -145.69 0.18 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -130.29 6.01 4.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 571' ' ' ILE . . . . . 0.469 HG22 ' CB ' ' A' ' 632' ' ' SER . 80.7 mt -78.95 -81.14 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 167.49 99.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.013 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 82.06 8.93 85.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.52 1.137 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -104.56 154.59 19.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.773 . . . . 0.0 110.987 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 575' ' ' ALA . . . . . . . . . . . . . . . -115.8 156.52 25.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 576' ' ' LYS . . . . . 0.462 ' O ' ' O ' ' A' ' 567' ' ' GLN . 2.9 ptmt -152.85 146.87 25.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 577' ' ' ILE . . . . . 0.547 HD13 ' CE2' ' A' ' 551' ' ' TYR . 0.8 OUTLIER -137.54 151.62 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 578' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 3.9 m -128.73 128.74 44.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.429 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . 0.497 HG11 ' CD1' ' A' ' 587' ' ' LEU . 22.6 t -130.78 136.52 58.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 580' ' ' ASP . . . . . 0.492 ' O ' ' CG2' ' A' ' 581' ' ' ILE . 13.2 t70 -79.79 150.29 30.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 581' ' ' ILE . . . . . 0.493 ' HB ' ' CB ' ' A' ' 584' ' ' ALA . 34.7 pt -156.14 50.94 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 582' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 581' ' ' ILE . . . -32.7 -78.22 0.03 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.454 1.096 . . . . 0.0 110.971 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.81 -30.33 40.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 109.975 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 584' ' ' ALA . . . . . 0.493 ' CB ' ' HB ' ' A' ' 581' ' ' ILE . . . -60.94 136.57 58.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.256 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 80.7 p -115.46 -2.66 12.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.035 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -151.53 138.03 18.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.338 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . 0.497 ' CD1' HG11 ' A' ' 579' ' ' VAL . 6.0 tt -138.6 134.74 34.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 109.258 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . 0.453 ' HG3' ' CH2' ' A' ' 558' ' ' TRP . 0.9 OUTLIER -100.73 145.77 28.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 589' ' ' ALA . . . . . 0.497 ' CB ' ' HB3' ' A' ' 551' ' ' TYR . . . -140.09 141.02 36.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . 0.403 ' HB3' ' OD1' ' A' ' 605' ' ' ASN . . . -122.17 162.33 21.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 591' ' ' PHE . . . . . 0.802 ' CE1' ' CE1' ' A' ' 615' ' ' TYR . 12.9 m-85 -129.97 127.37 39.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -149.59 138.21 20.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . 0.426 ' CG ' ' CB ' ' A' ' 597' ' ' ASN . 42.8 p-10 -51.92 -32.53 33.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.078 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 114.47 8.37 16.68 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.487 1.117 . . . . 0.0 110.967 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 -124.27 -94.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -121.18 -1.04 9.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 597' ' ' ASN . . . . . 0.426 ' CB ' ' CG ' ' A' ' 593' ' ' ASP . 2.4 t30 -92.04 92.64 8.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 55.7 m95 -117.38 135.06 54.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 108.041 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.975 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 605' ' ' ASN . . . . . 0.403 ' OD1' ' HB3' ' A' ' 590' ' ' ALA . 15.2 m-80 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 606' ' ' TYR . . . . . 0.616 ' HB2' ' CZ ' ' A' ' 608' ' ' PHE . 96.9 m-85 -108.12 162.8 13.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 1.4 mp -115.03 120.23 39.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 608' ' ' PHE . . . . . 0.616 ' CZ ' ' HB2' ' A' ' 606' ' ' TYR . 9.0 m-85 -123.34 146.85 47.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 111.024 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 22.9 t -111.45 171.47 7.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.968 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 610' ' ' THR . . . . . 0.425 ' HA ' ' CG1' ' A' ' 536' ' ' VAL . 44.2 p -43.56 166.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.385 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 105.52 -164.68 14.02 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.513 1.133 . . . . 0.0 111.052 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 612' ' ' THR . . . . . . . . . . . . . 14.1 m -103.27 132.57 49.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.765 . . . . 0.0 110.383 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 14.5 m -139.38 157.23 46.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.991 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 614' ' ' THR . . . . . 0.484 ' CG2' ' HG3' ' A' ' 631' ' ' PRO . 7.0 m -133.69 114.72 13.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.408 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 615' ' ' TYR . . . . . 0.802 ' CE1' ' CE1' ' A' ' 591' ' ' PHE . 29.0 t80 -96.66 117.49 31.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 111.037 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 73.6 m -115.51 117.45 40.51 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.377 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . 0.45 ' HG3' ' CE1' ' A' ' 540' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.128 0 O-C-N 124.524 1.802 . . . . 0.0 110.972 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 19.7 p . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 626' ' ' ILE . . . . . 0.471 ' HA ' ' O ' ' A' ' 614' ' ' THR . 0.2 OUTLIER -121.02 128.11 76.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.14 124.64 51.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.87 148.41 38.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.455 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 105.12 143.55 12.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -59.23 120.38 47.19 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.538 0.787 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 631' ' ' PRO . . . . . 0.484 ' HG3' ' CG2' ' A' ' 614' ' ' THR . 18.4 Cg_endo -74.98 162.1 37.72 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.484 1.781 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 632' ' ' SER . . . . . 0.469 ' CB ' HG22 ' A' ' 571' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.018 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 534' ' ' ASN . . . . . 0.456 ' HB3' ' CG2' ' A' ' 610' ' ' THR . 1.3 m-20 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -144.48 145.26 31.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 609' ' ' SER . 0.2 OUTLIER -114.6 121.63 67.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 11.2 m -101.44 123.32 45.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.404 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 2.1 t -125.3 131.44 72.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 539' ' ' TYR . . . . . 0.515 ' CE2' ' HB3' ' A' ' 569' ' ' ALA . 2.3 m-85 -107.11 118.98 38.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 540' ' ' TYR . . . . . 0.59 ' CD2' ' CZ ' ' A' ' 591' ' ' PHE . 42.6 t80 -113.08 139.11 48.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 7.0 ttpp -86.57 113.21 22.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 542' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -82.32 139.04 34.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 157.08 -131.32 2.89 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 0.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -122.35 -77.74 0.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 0.743 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -155.51 -51.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.244 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 546' ' ' SER . . . . . 0.436 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 2.2 m -169.94 62.9 0.45 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.026 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 547' ' ' PRO . . . . . 0.436 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.2 Cg_endo -74.93 159.06 42.05 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.501 1.79 . . . . 0.0 110.964 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 548' ' ' TYR . . . . . 0.565 ' CE1' ' HB2' ' A' ' 565' ' ' LYS . 2.1 m-85 -118.43 147.4 43.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 549' ' ' ILE . . . . . 0.615 HG12 ' CD2' ' A' ' 551' ' ' TYR . 0.3 OUTLIER -117.13 143.77 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.281 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 550' ' ' HIS . . . . . 0.422 ' CE1' ' O ' ' A' ' 559' ' ' THR . 0.8 OUTLIER -129.77 118.7 22.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.573 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 551' ' ' TYR . . . . . 0.615 ' CD2' HG12 ' A' ' 549' ' ' ILE . 0.5 OUTLIER -128.95 160.87 31.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 552' ' ' ARG . . . . . 0.568 ' HD3' ' CE2' ' A' ' 558' ' ' TRP . 6.8 ptt-85 -141.02 173.59 4.74 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 553' ' ' PRO . . . . . 0.602 ' O ' ' C ' ' A' ' 554' ' ' ALA . 18.4 Cg_endo -74.99 160.44 40.19 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.546 1.814 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 554' ' ' ALA . . . . . 0.602 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -22.52 -54.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 555' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 553' ' ' PRO . . . -174.08 80.07 0.08 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.128 . . . . 0.0 111.048 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -138.06 -95.29 0.35 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.53 146.51 47.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 0.766 . . . . 0.0 110.024 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 558' ' ' TRP . . . . . 0.568 ' CE2' ' HD3' ' A' ' 552' ' ' ARG . 22.3 m95 -86.64 120.48 28.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 108.02 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 559' ' ' THR . . . . . 0.422 ' O ' ' CE1' ' A' ' 550' ' ' HIS . 4.8 m -43.17 167.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.381 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 560' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -65.81 107.69 1.89 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 561' ' ' ALA . . . . . 0.488 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -75.64 134.0 73.06 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 562' ' ' PRO . . . . . 0.488 ' C ' ' HA ' ' A' ' 561' ' ' ALA . 18.3 Cg_endo -75.05 148.2 91.08 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 120.967 -2.514 . . . . 0.0 110.993 0.014 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 563' ' ' GLY . . . . . 0.486 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -45.81 -104.15 0.01 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 564' ' ' VAL . . . . . 0.542 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 2.0 t -135.88 157.92 38.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 0.772 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 565' ' ' LYS . . . . . 0.565 ' HB2' ' CE1' ' A' ' 548' ' ' TYR . 0.0 OUTLIER -90.29 117.7 29.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 566' ' ' MET . . . . . 0.477 ' CE ' ' CB ' ' A' ' 540' ' ' TYR . 3.6 mtp -36.27 127.44 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . 0.459 ' O ' ' O ' ' A' ' 576' ' ' LYS . 2.0 mt-30 -100.16 118.23 36.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 568' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 567' ' ' GLN . 0.2 OUTLIER -39.19 150.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.515 ' HB3' ' CE2' ' A' ' 539' ' ' TYR . . . -89.15 -146.02 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -126.57 6.37 6.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.266 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 571' ' ' ILE . . . . . . . . . . . . . 4.3 mm -81.39 -93.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.47 93.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.996 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 91.9 9.68 62.19 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -103.51 158.8 16.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 0.787 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 575' ' ' ALA . . . . . . . . . . . . . . . -117.16 154.88 30.31 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 576' ' ' LYS . . . . . 0.459 ' O ' ' O ' ' A' ' 567' ' ' GLN . 0.0 OUTLIER -150.85 132.49 14.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 577' ' ' ILE . . . . . 0.558 ' O ' ' CD1' ' A' ' 577' ' ' ILE . 0.0 OUTLIER -133.97 148.3 30.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 578' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 3.9 m -120.7 135.64 55.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.397 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 579' ' ' VAL . . . . . 0.556 ' CG1' ' CD1' ' A' ' 551' ' ' TYR . 4.8 t -128.96 122.71 57.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 580' ' ' ASP . . . . . 0.405 ' HA ' ' O ' ' A' ' 534' ' ' ASN . 0.0 OUTLIER -87.32 129.56 34.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 581' ' ' ILE . . . . . 0.479 ' CD1' ' O ' ' A' ' 584' ' ' ALA . 18.6 pt -107.11 -46.57 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 582' ' ' GLY . . . . . 0.537 ' O ' ' CB ' ' A' ' 583' ' ' SER . . . 49.51 92.47 0.01 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.462 1.101 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 583' ' ' SER . . . . . 0.537 ' CB ' ' O ' ' A' ' 582' ' ' GLY . 0.4 OUTLIER 88.52 41.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 109.968 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 584' ' ' ALA . . . . . 0.479 ' O ' ' CD1' ' A' ' 581' ' ' ILE . . . -154.41 145.52 22.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 78.7 p -113.66 0.5 14.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 109.976 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 586' ' ' GLN . . . . . 0.469 ' O ' ' CA ' ' A' ' 554' ' ' ALA . 91.3 mt-30 -151.48 138.95 19.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 587' ' ' LEU . . . . . 0.476 ' CD1' HG12 ' A' ' 579' ' ' VAL . 0.0 OUTLIER -141.21 142.83 33.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 0.0 109.258 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . 0.439 ' CD ' ' CB ' ' A' ' 605' ' ' ASN . 6.6 tt0 -92.14 146.98 23.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 589' ' ' ALA . . . . . 0.458 ' O ' ' ND2' ' A' ' 605' ' ' ASN . . . -142.85 138.69 30.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -128.29 162.84 26.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 591' ' ' PHE . . . . . 0.59 ' CZ ' ' CD2' ' A' ' 540' ' ' TYR . 1.3 m-85 -121.7 127.42 50.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 592' ' ' ASN . . . . . 0.518 ' HB3' ' CE3' ' A' ' 598' ' ' TRP . 11.2 p30 -142.95 136.04 28.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 593' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 597' ' ' ASN . 20.2 p-10 -61.0 -28.15 68.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 102.05 2.65 51.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 595' ' ' ASN . . . . . 0.443 ' O ' ' HB2' ' A' ' 596' ' ' ASN . 1.4 t-20 -111.64 -32.95 6.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 0.74 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 596' ' ' ASN . . . . . 0.443 ' HB2' ' O ' ' A' ' 595' ' ' ASN . 7.7 t-20 172.11 -37.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 597' ' ' ASN . . . . . 0.461 ' N ' ' OD1' ' A' ' 593' ' ' ASP . 15.6 t-20 -48.3 117.47 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 598' ' ' TRP . . . . . 0.518 ' CE3' ' HB3' ' A' ' 592' ' ' ASN . 57.0 m95 -122.28 131.37 53.88 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.335 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 605' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 589' ' ' ALA . 4.8 t-20 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 606' ' ' TYR . . . . . 0.52 ' CB ' ' CZ ' ' A' ' 608' ' ' PHE . 10.7 m-85 -124.17 154.15 40.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 6.4 mp -103.96 121.2 42.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 608' ' ' PHE . . . . . 0.52 ' CZ ' ' CB ' ' A' ' 606' ' ' TYR . 32.5 m-85 -122.16 142.72 50.11 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 110.958 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 609' ' ' SER . . . . . 0.5 ' O ' ' CG1' ' A' ' 536' ' ' VAL . 4.8 t -112.53 166.39 11.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.982 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 610' ' ' THR . . . . . 0.47 ' CG2' HD12 ' A' ' 581' ' ' ILE . 40.2 p -56.07 160.37 2.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.405 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 118.18 -126.87 7.05 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 612' ' ' THR . . . . . 0.457 HG22 ' CB ' ' A' ' 630' ' ' ALA . 2.5 m -128.4 134.71 48.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 0.78 . . . . 0.0 110.405 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 8.0 m -137.63 158.12 45.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 110.027 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 614' ' ' THR . . . . . 0.472 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 3.7 m -133.0 115.63 15.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.439 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 615' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -97.86 117.16 31.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 111.02 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 18.6 m -117.61 116.45 36.75 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.402 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . 0.588 ' HG3' ' CE2' ' A' ' 540' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.535 1.808 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 8.2 p . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 626' ' ' ILE . . . . . 0.472 ' HA ' ' O ' ' A' ' 614' ' ' THR . 0.1 OUTLIER -121.16 127.84 75.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.82 123.77 51.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.22 149.12 37.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 110.338 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 107.99 139.88 9.14 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . 0.457 ' CB ' HG22 ' A' ' 612' ' ' THR . . . -60.07 120.84 54.31 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.555 0.797 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 160.74 39.72 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.523 1.802 . . . . 0.0 110.958 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.993 179.972 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . 60.6 140.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 63.1 m -94.73 -75.56 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 110.437 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 533' ' ' THR . . . . . 0.537 ' HA ' ' CA ' ' A' ' 582' ' ' GLY . 0.7 OUTLIER -166.49 89.94 0.4 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 110.428 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 534' ' ' ASN . . . . . 0.463 ' HB3' ' CG2' ' A' ' 610' ' ' THR . 1.2 m-20 -103.38 179.05 4.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 19.7 mttt -144.59 151.46 39.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . 0.483 ' CG2' ' HB ' ' A' ' 579' ' ' VAL . 0.4 OUTLIER -119.97 117.2 52.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.344 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 5.9 m -101.49 122.12 43.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.411 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 3.0 t -126.67 132.78 69.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 539' ' ' TYR . . . . . 0.57 ' CD2' ' HG2' ' A' ' 631' ' ' PRO . 1.2 m-85 -107.16 122.87 47.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 111.044 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 540' ' ' TYR . . . . . 0.815 ' CD1' ' CZ ' ' A' ' 591' ' ' PHE . 41.1 t80 -108.52 139.33 43.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -91.99 114.87 27.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 542' ' ' LYS . . . . . 0.417 ' HG3' ' CA ' ' A' ' 543' ' ' GLY . 5.6 ttpt -80.41 138.67 36.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 543' ' ' GLY . . . . . 0.417 ' CA ' ' HG3' ' A' ' 542' ' ' LYS . . . 155.57 -130.29 2.74 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.544 1.152 . . . . 0.0 111.01 -0.018 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -130.53 -86.09 0.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 0.79 . . . . 0.0 110.979 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -147.42 -52.24 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 546' ' ' SER . . . . . 0.473 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 27.6 t -164.65 61.19 0.83 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 547' ' ' PRO . . . . . 0.473 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.4 Cg_endo -74.98 149.64 37.09 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.489 1.783 . . . . 0.0 111.033 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 548' ' ' TYR . . . . . 0.468 ' CE2' ' HB2' ' A' ' 565' ' ' LYS . 3.2 m-85 -110.38 151.85 26.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 111.038 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . 0.612 HG12 ' CD2' ' A' ' 551' ' ' TYR . 0.9 OUTLIER -117.61 143.01 29.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 550' ' ' HIS . . . . . 0.465 ' CE1' ' O ' ' A' ' 559' ' ' THR . 0.8 OUTLIER -128.64 117.18 20.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.622 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 551' ' ' TYR . . . . . 0.612 ' CD2' HG12 ' A' ' 549' ' ' ILE . 0.3 OUTLIER -132.64 161.87 32.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 552' ' ' ARG . . . . . 0.574 ' HG2' ' CH2' ' A' ' 558' ' ' TRP . 9.1 ptt180 -146.39 159.31 45.44 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.3 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 553' ' ' PRO . . . . . 0.715 ' O ' ' C ' ' A' ' 554' ' ' ALA . 18.3 Cg_endo -75.04 141.16 26.2 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.498 1.789 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . 0.715 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -4.51 83.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.419 1.075 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 553' ' ' PRO . . . 32.55 68.83 0.15 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.555 1.16 . . . . 0.0 111.045 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 553' ' ' PRO . . . -123.09 -92.41 1.06 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 557' ' ' SER . . . . . 0.422 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 0.0 OUTLIER -115.63 138.36 51.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 0.741 . . . . 0.0 109.988 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 558' ' ' TRP . . . . . 0.574 ' CH2' ' HG2' ' A' ' 552' ' ' ARG . 71.3 m95 -95.33 102.99 14.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 107.983 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 559' ' ' THR . . . . . 0.465 ' O ' ' CE1' ' A' ' 550' ' ' HIS . 14.8 m -41.12 164.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.38 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 560' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -57.36 110.07 0.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 561' ' ' ALA . . . . . 0.502 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -74.23 132.97 78.53 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 562' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 561' ' ' ALA . 18.3 Cg_endo -74.95 144.46 81.05 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 121.022 -2.491 . . . . 0.0 111.013 -0.045 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . 0.478 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -38.78 -98.59 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.446 1.091 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 564' ' ' VAL . . . . . 0.531 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.8 t -136.52 158.33 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 0.784 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . 0.483 ' O ' ' C ' ' A' ' 566' ' ' MET . 0.1 OUTLIER -86.85 115.1 24.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 566' ' ' MET . . . . . 0.554 ' SD ' ' CG2' ' A' ' 577' ' ' ILE . 2.4 mmt -30.39 125.3 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 568' ' ' ASP . 6.8 mt-30 -90.19 111.99 23.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.249 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 567' ' ' GLN . 0.1 OUTLIER -36.83 145.22 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.534 ' HB1' ' CZ ' ' A' ' 539' ' ' TYR . . . -79.35 -144.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -130.01 5.01 4.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.304 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 571' ' ' ILE . . . . . . . . . . . . . 43.6 mt -83.87 -86.68 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 171.53 95.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.043 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 95.34 8.25 58.8 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.547 1.155 . . . . 0.0 111.056 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -104.55 160.45 14.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 0.765 . . . . 0.0 110.96 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 575' ' ' ALA . . . . . 0.409 ' HB1' ' SD ' ' A' ' 566' ' ' MET . . . -121.69 155.88 34.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 576' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 567' ' ' GLN . 7.4 ptmt -155.22 145.84 22.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 577' ' ' ILE . . . . . 0.559 ' O ' ' CD1' ' A' ' 577' ' ' ILE . 0.0 OUTLIER -141.63 147.99 21.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 578' ' ' THR . . . . . 0.416 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 5.6 m -125.23 132.01 53.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.377 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . 0.483 ' HB ' ' CG2' ' A' ' 536' ' ' VAL . 3.0 t -129.41 128.52 66.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 580' ' ' ASP . . . . . 0.403 ' HA ' ' O ' ' A' ' 534' ' ' ASN . 8.7 t70 -80.28 150.05 30.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 581' ' ' ILE . . . . . 0.47 ' CD1' HG22 ' A' ' 610' ' ' THR . 40.2 pt -149.77 57.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . 0.537 ' CA ' ' HA ' ' A' ' 533' ' ' THR . . . -68.34 57.58 0.44 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.567 1.167 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 583' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 582' ' ' GLY . 0.6 OUTLIER 159.03 -25.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 0.792 . . . . 0.0 109.981 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 584' ' ' ALA . . . . . . . . . . . . . . . -96.58 140.55 31.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.79 -4.29 21.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.984 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -151.53 138.51 19.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.39 142.01 45.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . 0.448 ' HA ' ' O ' ' A' ' 606' ' ' TYR . 3.3 pm0 -105.31 142.66 34.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.285 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 589' ' ' ALA . . . . . 0.561 ' CB ' ' HB3' ' A' ' 551' ' ' TYR . . . -135.25 146.55 48.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -125.81 163.75 22.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 591' ' ' PHE . . . . . 0.815 ' CZ ' ' CD1' ' A' ' 540' ' ' TYR . 0.8 OUTLIER -125.18 127.12 46.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 111.045 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -143.94 135.48 25.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 593' ' ' ASP . 0.0 OUTLIER -68.9 -16.0 63.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 92.17 16.69 49.64 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.125 . . . . 0.0 110.995 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -141.24 67.66 1.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 0.771 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 4.4 m120 48.72 26.25 1.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -116.32 77.0 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 60.3 m95 -92.68 152.92 19.27 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -139.99 65.84 1.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 600' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 604' ' ' LYS . 1.5 m -52.28 -96.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.962 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 601' ' ' ASN . . . . . 0.508 ' HB3' ' CZ ' ' A' ' 606' ' ' TYR . 0.5 OUTLIER -172.26 -96.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -128.55 2.08 5.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 603' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -160.93 -73.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.4 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 600' ' ' SER . 11.6 ttmt -129.41 -74.88 0.55 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 605' ' ' ASN . . . . . 0.412 ' HA ' ' OD1' ' A' ' 601' ' ' ASN . 29.5 m120 -157.53 -174.14 4.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 606' ' ' TYR . . . . . 0.614 ' HB2' ' CZ ' ' A' ' 608' ' ' PHE . 30.8 m-85 -109.72 162.6 14.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.966 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 6.6 mt -104.98 121.91 44.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 608' ' ' PHE . . . . . 0.614 ' CZ ' ' HB2' ' A' ' 606' ' ' TYR . 7.2 m-85 -117.48 144.43 45.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 15.6 t -112.53 166.89 10.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.032 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 610' ' ' THR . . . . . 0.47 HG22 ' CD1' ' A' ' 581' ' ' ILE . 34.1 p -53.62 162.47 0.84 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.403 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 113.73 -143.81 18.01 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 612' ' ' THR . . . . . . . . . . . . . 2.0 m -114.19 126.73 55.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 0.78 . . . . 0.0 110.399 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 17.9 m -139.49 158.29 44.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.044 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 614' ' ' THR . . . . . 0.468 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 6.6 m -133.12 122.47 24.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.414 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 615' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -97.57 122.12 40.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 111.007 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 54.9 m -131.52 126.7 21.28 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.377 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -37.38 2.05 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.523 1.802 . . . . 0.0 111.014 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 69.2 165.16 4.11 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 619' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 620' ' ' ASN . 0.1 OUTLIER -127.94 -42.57 1.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.773 . . . . 0.0 110.007 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 620' ' ' ASN . . . . . 0.41 ' O ' ' O ' ' A' ' 619' ' ' SER . 1.6 m120 -61.85 -138.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . -83.97 38.16 2.84 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 622' ' ' ALA . . . . . . . . . . . . . . . -121.52 104.19 9.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 0.76 . . . . 0.0 109.337 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . 0.424 ' O ' ' O ' ' A' ' 624' ' ' GLY . . . -99.58 97.69 8.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 624' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 623' ' ' ALA . . . 53.35 107.99 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 45.1 p -142.85 147.83 36.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 0.784 . . . . 0.0 110.377 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 626' ' ' ILE . . . . . 0.564 HG12 ' CE1' ' A' ' 608' ' ' PHE . 0.1 OUTLIER -123.68 129.62 74.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.1 122.27 47.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.54 147.2 39.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.406 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 110.1 140.55 8.68 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -59.84 118.52 32.84 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.492 0.76 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . 0.57 ' HG2' ' CD2' ' A' ' 539' ' ' TYR . 18.3 Cg_endo -75.06 156.9 42.75 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 27.0 p -144.14 82.86 1.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.416 1.073 . . . . 0.0 110.019 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 633' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.51 1.132 . . . . 0.0 110.994 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . -141.66 -158.94 7.73 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 73.1 p -48.73 143.77 4.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 0.773 . . . . 0.0 110.385 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.69 123.06 16.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.448 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 534' ' ' ASN . . . . . 0.436 ' HB3' ' CG2' ' A' ' 610' ' ' THR . 1.2 m-20 -98.0 175.28 6.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.64 154.74 42.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . 0.499 ' CG2' ' HB ' ' A' ' 579' ' ' VAL . 32.7 m -121.43 113.32 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 21.0 m -103.28 121.34 42.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.356 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . 0.454 HG22 ' CD1' ' A' ' 577' ' ' ILE . 2.2 t -126.65 130.84 71.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 539' ' ' TYR . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 569' ' ' ALA . 2.6 m-85 -107.56 124.59 50.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 111.044 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 540' ' ' TYR . . . . . 0.598 ' CD2' ' SD ' ' A' ' 566' ' ' MET . 54.4 t80 -113.85 139.28 49.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 110.942 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 62.5 tttt -85.68 112.9 21.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 542' ' ' LYS . . . . . 0.415 ' HG3' ' CA ' ' A' ' 543' ' ' GLY . 1.8 ttpt -84.1 138.06 33.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 543' ' ' GLY . . . . . 0.415 ' CA ' ' HG3' ' A' ' 542' ' ' LYS . . . 156.84 -132.92 3.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.446 1.091 . . . . 0.0 110.977 0.048 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -120.29 -82.69 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -154.16 -48.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.246 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 546' ' ' SER . . . . . 0.478 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 33.3 p -164.36 61.04 0.85 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.012 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 547' ' ' PRO . . . . . 0.478 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.3 Cg_endo -74.98 147.61 34.27 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.482 1.78 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 548' ' ' TYR . . . . . 0.541 ' CZ ' ' HB2' ' A' ' 565' ' ' LYS . 8.1 m-85 -113.68 156.07 24.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . 0.626 ' CG1' ' CE2' ' A' ' 551' ' ' TYR . 0.2 OUTLIER -127.48 140.19 49.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 550' ' ' HIS . . . . . 0.507 ' CD2' ' HB2' ' A' ' 561' ' ' ALA . 0.8 OUTLIER -121.81 114.07 20.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.578 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 551' ' ' TYR . . . . . 0.626 ' CE2' ' CG1' ' A' ' 549' ' ' ILE . 0.2 OUTLIER -125.95 160.93 28.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 552' ' ' ARG . . . . . 0.531 ' NH2' ' HE1' ' A' ' 558' ' ' TRP . 0.0 OUTLIER -148.47 147.49 25.54 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.31 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 553' ' ' PRO . . . . . 0.481 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.4 Cg_endo -74.96 147.72 34.47 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.537 1.809 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 586' ' ' GLN . . . -78.1 63.58 3.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 142.96 39.45 0.07 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . 0.427 ' HA3' ' HG2' ' A' ' 553' ' ' PRO . . . -142.84 -93.37 0.19 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 557' ' ' SER . . . . . 0.481 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 48.4 t -178.41 -174.32 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 0.0 109.987 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 558' ' ' TRP . . . . . 0.531 ' HE1' ' NH2' ' A' ' 552' ' ' ARG . 56.7 m95 -100.55 134.92 42.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 108.009 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 87.8 m -72.45 175.61 6.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.382 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 560' ' ' ALA . . . . . 0.416 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -67.89 107.24 2.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 561' ' ' ALA . . . . . 0.508 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -70.41 134.07 86.94 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 562' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 561' ' ' ALA . 18.3 Cg_endo -75.01 147.51 89.44 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 120.981 -2.508 . . . . 0.0 110.991 0.009 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . 0.491 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -39.66 -99.48 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 564' ' ' VAL . . . . . 0.539 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.7 t -137.9 159.16 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.434 0.726 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . 0.541 ' HB2' ' CZ ' ' A' ' 548' ' ' TYR . 9.8 tptm -87.74 113.72 23.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 566' ' ' MET . . . . . 0.598 ' SD ' ' CD2' ' A' ' 540' ' ' TYR . 3.0 mtp -31.75 119.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 576' ' ' LYS . 2.8 mm-40 -87.0 118.25 26.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 110.313 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -50.27 133.14 24.23 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.461 ' HB3' ' CZ ' ' A' ' 539' ' ' TYR . . . -71.51 -144.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -122.48 4.56 9.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 571' ' ' ILE . . . . . 0.522 ' O ' ' CB ' ' A' ' 572' ' ' SER . 2.2 mm -85.01 -22.92 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 572' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 571' ' ' ILE . 1.3 t 86.75 110.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 94.15 -6.15 72.14 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -105.52 161.02 14.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 575' ' ' ALA . . . . . . . . . . . . . . . -115.5 154.58 29.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 576' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 567' ' ' GLN . 1.2 ptmm? -154.52 133.98 12.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 577' ' ' ILE . . . . . 0.547 ' O ' ' CD1' ' A' ' 577' ' ' ILE . 0.0 OUTLIER -131.62 146.64 33.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 578' ' ' THR . . . . . 0.449 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 4.3 m -128.69 128.54 44.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.378 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . 0.499 ' HB ' ' CG2' ' A' ' 536' ' ' VAL . 1.8 t -128.94 127.91 66.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -81.85 150.51 27.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.133 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 581' ' ' ILE . . . . . 0.501 ' CD1' HG21 ' A' ' 610' ' ' THR . 35.6 pt -153.02 61.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . 0.554 ' O ' ' CB ' ' A' ' 583' ' ' SER . . . -68.55 52.17 0.47 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 583' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' A' ' 582' ' ' GLY . 1.4 m 154.65 41.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.779 . . . . 0.0 109.934 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 584' ' ' ALA . . . . . . . . . . . . . . . -162.08 143.48 10.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.343 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.36 2.1 15.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 586' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' A' ' 554' ' ' ALA . 54.8 mt-30 -146.47 139.11 25.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . 0.471 ' CD2' ' HB2' ' A' ' 551' ' ' TYR . 6.9 tt -139.62 133.32 30.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.257 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . 0.411 ' O ' ' CA ' ' A' ' 551' ' ' TYR . 4.8 tt0 -90.15 145.73 24.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 589' ' ' ALA . . . . . 0.47 ' O ' ' ND2' ' A' ' 605' ' ' ASN . . . -143.3 135.78 27.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . 0.508 ' CB ' ' OD1' ' A' ' 605' ' ' ASN . . . -123.17 157.7 32.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 591' ' ' PHE . . . . . 0.786 ' CE1' ' CD1' ' A' ' 615' ' ' TYR . 7.4 m-85 -123.87 127.58 48.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 111.03 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -150.19 136.03 18.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . 0.472 ' OD2' ' N ' ' A' ' 593' ' ' ASP . 0.5 OUTLIER -68.49 -16.21 63.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 90.61 22.45 33.96 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -131.56 39.25 3.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 0.745 . . . . 0.0 109.344 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 69.73 22.08 6.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -114.65 77.35 1.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -98.66 134.8 41.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 108.007 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -134.84 91.41 2.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.13 . . . . 0.0 109.254 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 600' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.51 -70.25 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 110.021 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 601' ' ' ASN . . . . . 0.437 ' N ' ' OD1' ' A' ' 601' ' ' ASN . 8.9 p-10 167.46 -51.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 26.6 t30 -143.38 -54.7 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 603' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 175.0 -34.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.413 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 605' ' ' ASN . 2.5 tmtt? -91.91 24.0 3.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 605' ' ' ASN . . . . . 0.508 ' OD1' ' CB ' ' A' ' 590' ' ' ALA . 0.2 OUTLIER 37.77 -151.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 606' ' ' TYR . . . . . 0.52 ' CG ' HD11 ' A' ' 626' ' ' ILE . 4.7 m-85 -119.44 132.18 55.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -107.65 120.47 42.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 608' ' ' PHE . . . . . 0.6 ' CE1' ' CD1' ' A' ' 626' ' ' ILE . 11.2 m-85 -132.69 159.29 40.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 111.031 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 2.7 t -105.04 174.11 6.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.985 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 610' ' ' THR . . . . . 0.501 HG21 ' CD1' ' A' ' 581' ' ' ILE . 76.6 p -53.75 176.13 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.388 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 113.12 -133.09 11.07 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 612' ' ' THR . . . . . 0.472 HG23 ' CA ' ' A' ' 630' ' ' ALA . 11.9 m -130.29 129.02 42.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.76 . . . . 0.0 110.417 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.12 158.38 44.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.163 . . . . 0.0 109.974 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 614' ' ' THR . . . . . 0.444 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 58.6 m -134.16 125.04 27.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.452 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 615' ' ' TYR . . . . . 0.786 ' CD1' ' CE1' ' A' ' 591' ' ' PHE . 0.2 OUTLIER -97.82 123.34 41.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.971 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 17.6 m -112.54 123.77 33.31 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.351 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . 0.577 ' HG3' ' CE1' ' A' ' 540' ' ' TYR . 18.3 Cg_endo -75.0 -166.49 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.531 1.806 . . . . 0.0 110.972 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . -113.8 -154.87 11.37 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.531 1.144 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 16.7 t -119.87 -41.45 2.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.764 . . . . 0.0 110.027 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 620' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 621' ' ' GLY . 6.3 m-20 -132.84 85.16 2.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 621' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 620' ' ' ASN . . . 36.43 45.16 0.93 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.475 1.11 . . . . 0.0 111.053 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 622' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 623' ' ' ALA . . . -123.27 105.29 9.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 0.73 . . . . 0.0 109.34 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 622' ' ' ALA . . . -39.24 147.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 624' ' ' GLY . . . . . . . . . . . . . . . -106.71 -130.9 6.62 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 2.6 p -151.8 167.88 26.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 110.435 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 626' ' ' ILE . . . . . 0.6 ' CD1' ' CE1' ' A' ' 608' ' ' PHE . 0.6 OUTLIER -115.54 128.63 72.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.66 126.55 55.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 110.269 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.57 147.2 39.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.427 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 110.59 141.57 8.88 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . 0.472 ' CA ' HG23 ' A' ' 612' ' ' THR . . . -59.37 121.85 59.54 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 163.99 34.19 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.51 1.795 . . . . 0.0 110.945 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 7.0 t -152.56 81.04 1.23 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.012 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 633' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 -179.956 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . 93.64 -136.26 12.99 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 532' ' ' THR . . . . . 0.418 ' HA ' ' CG ' ' A' ' 580' ' ' ASP . 6.7 p -43.95 133.4 5.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.538 0.787 . . . . 0.0 110.368 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 96.9 m -157.28 -60.94 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 110.418 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -93.7 168.24 11.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -147.27 156.72 43.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 1.7 t -130.2 126.61 61.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 1.8 m -103.37 122.2 44.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 110.428 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -123.5 123.46 67.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 539' ' ' TYR . . . . . 0.494 ' CD2' ' HG2' ' A' ' 631' ' ' PRO . 0.8 OUTLIER -101.44 138.96 37.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 540' ' ' TYR . . . . . 0.473 ' CE1' ' O ' ' A' ' 541' ' ' LYS . 1.6 t80 -129.74 138.14 50.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 541' ' ' LYS . . . . . 0.473 ' O ' ' CE1' ' A' ' 540' ' ' TYR . 65.7 tttt -89.94 113.07 24.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 542' ' ' LYS . . . . . 0.473 ' HA ' ' HA3' ' A' ' 543' ' ' GLY . 3.1 ttpt -86.59 140.34 29.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 543' ' ' GLY . . . . . 0.473 ' HA3' ' HA ' ' A' ' 542' ' ' LYS . . . 147.78 -134.34 5.08 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 -0.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 544' ' ' PHE . 16.4 m-85 -119.02 -123.53 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -120.65 -46.57 2.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 546' ' ' SER . . . . . 0.45 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 17.8 t -145.28 62.35 8.78 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.037 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 547' ' ' PRO . . . . . 0.45 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.1 Cg_endo -75.08 146.14 32.02 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.533 1.807 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -123.62 154.66 38.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . 0.545 HG12 ' CD2' ' A' ' 551' ' ' TYR . 0.2 OUTLIER -127.18 142.73 42.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 550' ' ' HIS . . . . . 0.418 ' CE1' ' O ' ' A' ' 559' ' ' THR . 0.8 OUTLIER -125.36 117.2 23.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.634 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 551' ' ' TYR . . . . . 0.564 ' CE2' ' CD1' ' A' ' 577' ' ' ILE . 0.3 OUTLIER -127.37 161.21 29.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.965 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 552' ' ' ARG . . . . . 0.509 ' HG3' ' N ' ' A' ' 553' ' ' PRO . 0.0 OUTLIER -143.05 152.49 58.49 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.262 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 553' ' ' PRO . . . . . 0.52 ' O ' ' C ' ' A' ' 554' ' ' ALA . 18.2 Cg_endo -75.0 153.13 41.52 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.516 1.798 . . . . 0.0 111.033 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . 0.52 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -30.06 -74.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -126.29 86.1 0.34 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.144 . . . . 0.0 111.036 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -145.67 -91.4 0.11 Allowed Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 557' ' ' SER . . . . . 0.493 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 28.9 t -165.6 -179.63 5.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 0.732 . . . . 0.0 109.997 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 558' ' ' TRP . . . . . 0.449 ' CD1' ' HD3' ' A' ' 552' ' ' ARG . 63.3 m95 -107.2 112.41 25.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 107.992 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 559' ' ' THR . . . . . 0.418 ' O ' ' CE1' ' A' ' 550' ' ' HIS . 8.9 m -45.31 171.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.387 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 560' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -68.06 107.62 2.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 561' ' ' ALA . . . . . 0.481 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -71.21 134.25 85.17 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 562' ' ' PRO . . . . . 0.519 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.4 Cg_endo -75.0 148.16 91.05 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.014 -0.034 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . 0.519 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -43.36 -104.07 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 564' ' ' VAL . . . . . 0.494 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.5 t -137.07 158.66 36.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.785 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 566' ' ' MET . 13.2 tmtt? -82.53 120.65 25.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 566' ' ' MET . . . . . 0.571 ' HE1' ' CZ ' ' A' ' 591' ' ' PHE . 0.0 OUTLIER -35.78 131.25 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 568' ' ' ASP . 0.6 OUTLIER -91.44 110.23 21.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.173 . . . . 0.0 110.313 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 567' ' ' GLN . 0.0 OUTLIER -37.2 146.23 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -79.78 -142.04 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -131.07 7.01 4.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 571' ' ' ILE . . . . . 0.402 HG21 ' N ' ' A' ' 572' ' ' SER . 4.5 mt -89.08 -92.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 572' ' ' SER . . . . . 0.402 ' N ' HG21 ' A' ' 571' ' ' ILE . 0.2 OUTLIER 174.62 99.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.999 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 95.65 5.3 60.15 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.491 1.119 . . . . 0.0 111.041 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -104.59 159.25 15.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 110.985 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 575' ' ' ALA . . . . . 0.455 ' CB ' ' HG2' ' A' ' 566' ' ' MET . . . -123.54 156.49 35.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 576' ' ' LYS . . . . . 0.426 ' O ' ' O ' ' A' ' 567' ' ' GLN . 0.0 OUTLIER -154.05 156.17 36.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 577' ' ' ILE . . . . . 0.564 ' CD1' ' CE2' ' A' ' 551' ' ' TYR . 0.9 OUTLIER -143.45 151.31 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.266 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 578' ' ' THR . . . . . . . . . . . . . 3.9 m -129.06 125.62 37.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.367 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . 0.464 ' CG1' HD13 ' A' ' 587' ' ' LEU . 94.8 t -130.36 135.89 59.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 580' ' ' ASP . . . . . 0.501 ' O ' ' CG2' ' A' ' 581' ' ' ILE . 6.5 t70 -84.91 150.13 25.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 581' ' ' ILE . . . . . 0.501 ' CG2' ' O ' ' A' ' 580' ' ' ASP . 24.2 pt -156.3 45.41 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -53.78 -19.96 11.63 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.35 35.98 4.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 109.945 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 584' ' ' ALA . . . . . 0.45 ' CB ' ' HB ' ' A' ' 581' ' ' ILE . . . -151.97 142.76 22.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.55 -4.49 14.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.994 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -151.43 139.15 19.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.315 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . 0.464 HD13 ' CG1' ' A' ' 579' ' ' VAL . 0.1 OUTLIER -139.76 141.59 36.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -98.83 145.12 27.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 0.0 110.321 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 589' ' ' ALA . . . . . 0.432 ' O ' ' ND2' ' A' ' 605' ' ' ASN . . . -138.09 142.02 40.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -127.89 157.7 39.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 591' ' ' PHE . . . . . 0.571 ' CZ ' ' HE1' ' A' ' 566' ' ' MET . 7.3 m-85 -122.4 127.1 49.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 17.3 p30 -139.0 158.79 43.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 24.1 p-10 -82.71 -31.66 28.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 178.99 -47.8 0.09 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.566 1.166 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 10.9 t30 170.06 77.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 175.67 -37.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 17.5 m-20 -118.43 118.94 33.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 51.3 m95 -123.25 140.88 52.56 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 107.97 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -129.55 66.91 1.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 600' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.9 -74.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.015 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 601' ' ' ASN . . . . . . . . . . . . . 14.9 t30 170.73 -37.32 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 179.9 -49.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 603' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -177.95 -39.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 110.374 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.92 9.54 30.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 605' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 589' ' ' ALA . 4.0 t-20 40.07 -150.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 606' ' ' TYR . . . . . 0.62 ' CB ' ' CZ ' ' A' ' 608' ' ' PHE . 12.8 m-85 -111.39 160.9 16.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 4.8 mp -109.52 119.87 40.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 608' ' ' PHE . . . . . 0.62 ' CZ ' ' CB ' ' A' ' 606' ' ' TYR . 34.1 m-85 -125.05 141.35 52.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 111.044 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 28.1 t -111.72 170.11 8.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.036 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 610' ' ' THR . . . . . 0.465 HG21 ' CD1' ' A' ' 581' ' ' ILE . 74.9 p -46.15 167.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.37 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 107.92 -150.74 16.95 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 612' ' ' THR . . . . . 0.418 ' CG2' ' HA ' ' A' ' 630' ' ' ALA . 17.6 m -114.71 135.54 54.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 0.753 . . . . 0.0 110.393 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.68 157.8 45.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 614' ' ' THR . . . . . 0.491 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 3.6 m -133.63 112.4 11.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.378 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 615' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -100.03 115.22 29.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 52.1 m -108.53 100.78 39.98 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.389 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 160.82 39.73 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.497 1.788 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . -80.0 -158.68 16.86 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.36 -50.32 1.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 0.78 . . . . 0.0 110.005 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 620' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -99.02 67.37 1.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . 39.32 50.29 2.92 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.534 1.146 . . . . 0.0 111.033 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 622' ' ' ALA . . . . . . . . . . . . . . . -123.08 104.68 9.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -40.1 151.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 624' ' ' GLY . . . . . . . . . . . . . . . -115.97 -132.69 5.11 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.535 1.147 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 6.2 p -151.21 164.85 35.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 0.754 . . . . 0.0 110.352 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 626' ' ' ILE . . . . . 0.491 ' HA ' ' O ' ' A' ' 614' ' ' THR . 0.2 OUTLIER -120.82 124.0 71.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.76 122.37 46.61 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.462 1.101 . . . . 0.0 110.26 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.67 147.03 37.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.395 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 111.59 139.9 8.0 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 111.029 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . 0.418 ' HA ' ' CG2' ' A' ' 612' ' ' THR . . . -63.13 113.88 10.83 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . 0.494 ' HG2' ' CD2' ' A' ' 539' ' ' TYR . 18.4 Cg_endo -74.98 166.32 29.46 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.501 1.79 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 99.6 p -139.9 84.72 1.99 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.004 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 633' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . -167.54 66.19 0.19 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 2.1 p -137.06 128.1 27.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 0.76 . . . . 0.0 110.364 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -168.84 -47.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.436 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 534' ' ' ASN . . . . . 0.416 ' ND2' HG23 ' A' ' 610' ' ' THR . 1.6 m-20 -99.27 178.94 4.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.69 156.4 43.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . 0.487 ' CG2' ' HB ' ' A' ' 579' ' ' VAL . 13.3 m -125.02 119.27 55.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 16.3 m -100.39 121.87 42.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.345 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 1.6 t -124.89 127.76 72.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 539' ' ' TYR . . . . . 0.575 ' CE2' ' HB2' ' A' ' 569' ' ' ALA . 3.4 m-85 -107.92 130.2 55.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.965 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 540' ' ' TYR . . . . . 0.538 ' CE1' ' O ' ' A' ' 541' ' ' LYS . 1.2 t80 -125.53 138.22 53.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 541' ' ' LYS . . . . . 0.538 ' O ' ' CE1' ' A' ' 540' ' ' TYR . 12.5 tttt -89.55 114.11 25.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 542' ' ' LYS . . . . . 0.426 ' HA ' ' HA3' ' A' ' 543' ' ' GLY . 0.0 OUTLIER -103.42 143.89 32.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 543' ' ' GLY . . . . . 0.426 ' HA3' ' HA ' ' A' ' 542' ' ' LYS . . . 147.31 -119.85 1.17 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -0.009 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -106.71 -85.17 0.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 0.748 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -151.47 -51.58 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 546' ' ' SER . . . . . 0.454 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 0.6 OUTLIER -166.98 62.06 0.64 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.989 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 547' ' ' PRO . . . . . 0.454 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.3 Cg_endo -74.99 145.03 30.98 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.505 1.792 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -95.76 161.53 13.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.958 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . 0.478 HD13 ' CG ' ' A' ' 566' ' ' MET . 0.1 OUTLIER -129.89 135.2 61.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 550' ' ' HIS . . . . . 0.455 ' CD2' ' HB3' ' A' ' 561' ' ' ALA . 0.8 OUTLIER -115.23 115.0 25.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 109.565 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 551' ' ' TYR . . . . . 0.528 ' HB3' ' CB ' ' A' ' 589' ' ' ALA . 0.1 OUTLIER -126.22 160.83 29.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 552' ' ' ARG . . . . . 0.547 ' NH2' ' HE1' ' A' ' 558' ' ' TRP . 0.0 OUTLIER -143.97 140.88 17.57 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.341 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 553' ' ' PRO . . . . . 0.485 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.3 Cg_endo -74.98 138.95 23.74 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.539 1.81 . . . . 0.0 111.014 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 586' ' ' GLN . . . -69.82 60.83 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 553' ' ' PRO . . . 147.73 39.3 0.04 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.54 1.15 . . . . 0.0 111.038 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . 0.43 ' HA3' ' HG2' ' A' ' 553' ' ' PRO . . . -145.35 -93.62 0.15 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 557' ' ' SER . . . . . 0.485 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 35.9 t -177.86 -173.62 0.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 0.737 . . . . 0.0 110.02 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 558' ' ' TRP . . . . . 0.547 ' HE1' ' NH2' ' A' ' 552' ' ' ARG . 52.6 m95 -99.58 112.64 24.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 108.038 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 18.8 m -48.52 175.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 560' ' ' ALA . . . . . 0.454 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -72.37 107.0 4.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 561' ' ' ALA . . . . . 0.501 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -71.04 134.56 85.41 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 562' ' ' PRO . . . . . 0.508 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.3 Cg_endo -74.96 150.15 94.99 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.055 -2.477 . . . . 0.0 111.001 -0.017 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . 0.508 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -46.65 -106.61 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.424 1.078 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 564' ' ' VAL . . . . . 0.475 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.1 t -136.83 158.12 36.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 0.761 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 566' ' ' MET . 0.4 OUTLIER -82.29 120.4 25.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 566' ' ' MET . . . . . 0.478 ' CG ' HD13 ' A' ' 549' ' ' ILE . 0.0 OUTLIER -37.57 141.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 111.025 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . 0.441 ' O ' ' O ' ' A' ' 576' ' ' LYS . 0.7 OUTLIER -104.53 119.44 38.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.307 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.79 148.58 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.575 ' HB2' ' CE2' ' A' ' 539' ' ' TYR . . . -89.29 -141.58 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -132.09 9.55 4.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 571' ' ' ILE . . . . . 0.443 ' O ' ' CB ' ' A' ' 572' ' ' SER . 72.4 mt -81.68 -82.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 572' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 571' ' ' ILE . 1.5 t 163.99 92.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.993 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 93.44 6.74 62.45 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.551 1.157 . . . . 0.0 110.985 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -103.84 160.37 14.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 0.784 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 575' ' ' ALA . . . . . 0.463 ' CB ' ' SD ' ' A' ' 566' ' ' MET . . . -120.81 156.42 31.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 576' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' A' ' 567' ' ' GLN . 2.3 ptmm? -152.42 154.59 35.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 577' ' ' ILE . . . . . 0.507 HD13 ' CE2' ' A' ' 551' ' ' TYR . 0.9 OUTLIER -143.42 152.02 16.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 578' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 5.5 m -129.33 127.68 41.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.426 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . 0.487 ' HB ' ' CG2' ' A' ' 536' ' ' VAL . 2.7 t -130.38 135.38 60.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 580' ' ' ASP . . . . . 0.47 ' O ' ' CG2' ' A' ' 581' ' ' ILE . 25.3 t0 -79.15 150.74 31.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 581' ' ' ILE . . . . . 0.475 ' HB ' ' CB ' ' A' ' 584' ' ' ALA . 40.2 pt -155.3 48.75 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -45.53 -57.24 5.94 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.45 28.66 5.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 0.0 110.027 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 584' ' ' ALA . . . . . 0.475 ' CB ' ' HB ' ' A' ' 581' ' ' ILE . . . -134.21 139.7 45.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 8.4 p -111.02 -4.16 15.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 110.001 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 586' ' ' GLN . . . . . 0.502 ' O ' ' CB ' ' A' ' 554' ' ' ALA . 5.6 mt-30 -152.01 137.74 17.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . 0.4 ' CD1' HG12 ' A' ' 579' ' ' VAL . 5.3 tt -135.03 127.78 31.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . 0.46 ' O ' ' CA ' ' A' ' 551' ' ' TYR . 5.4 pm0 -89.2 143.15 27.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.321 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 589' ' ' ALA . . . . . 0.528 ' CB ' ' HB3' ' A' ' 551' ' ' TYR . . . -141.73 138.0 32.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -121.67 158.64 28.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 591' ' ' PHE . . . . . 0.798 ' CZ ' ' CD2' ' A' ' 615' ' ' TYR . 65.8 m-85 -118.64 128.45 54.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -153.39 135.71 14.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.82 -19.98 65.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 95.77 6.83 59.22 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.447 1.092 . . . . 0.0 110.96 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -131.17 63.21 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 109.333 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 49.94 50.15 18.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -142.97 71.77 1.35 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -95.55 142.07 28.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 107.971 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -127.27 19.5 6.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 600' ' ' SER . . . . . . . . . . . . . 60.7 p -66.45 -98.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.013 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 601' ' ' ASN . . . . . 0.491 ' O ' ' CB ' ' A' ' 602' ' ' ASN . 1.2 t30 -167.84 31.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 602' ' ' ASN . . . . . 0.491 ' CB ' ' O ' ' A' ' 601' ' ' ASN . 17.4 t30 81.99 -54.37 0.24 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 603' ' ' THR . . . . . 0.404 ' O ' ' CG2' ' A' ' 603' ' ' THR . 2.8 t -176.4 34.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.382 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 605' ' ' ASN . 0.0 OUTLIER -121.13 -39.04 2.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.178 . . . . 0.0 109.284 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 605' ' ' ASN . . . . . 0.429 ' O ' ' O ' ' A' ' 604' ' ' LYS . 0.0 OUTLIER 41.4 -163.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 606' ' ' TYR . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 608' ' ' PHE . 75.2 m-85 -130.31 142.56 50.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 6.6 mp -99.22 130.76 45.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 608' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 606' ' ' TYR . 6.8 m-85 -121.76 144.99 48.48 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 110.971 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 609' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 610' ' ' THR . 42.8 t -110.29 163.84 13.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.977 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 610' ' ' THR . . . . . 0.461 ' CG2' HD12 ' A' ' 581' ' ' ILE . 35.1 p -38.81 158.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.383 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 112.68 -156.18 15.77 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.541 1.151 . . . . 0.0 111.005 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 612' ' ' THR . . . . . 0.461 HG23 ' CB ' ' A' ' 630' ' ' ALA . 2.1 m -116.16 124.48 50.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 0.743 . . . . 0.0 110.382 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 81.5 p -132.21 157.35 44.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.989 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 614' ' ' THR . . . . . 0.451 ' CG2' ' HG3' ' A' ' 631' ' ' PRO . 5.8 m -134.14 114.51 13.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.404 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 615' ' ' TYR . . . . . 0.798 ' CD2' ' CZ ' ' A' ' 591' ' ' PHE . 54.5 t80 -97.92 113.6 25.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 60.5 m -113.69 102.23 54.59 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 110.404 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 176.11 10.36 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.531 1.806 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . -91.15 -156.13 32.39 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 91.1 p -135.58 35.08 2.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.784 . . . . 0.0 110.014 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 620' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 621' ' ' GLY . 18.0 t-20 178.42 64.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 621' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 620' ' ' ASN . . . 37.38 47.3 1.52 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 622' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 623' ' ' ALA . . . -123.6 104.98 9.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 0.778 . . . . 0.0 109.267 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 622' ' ' ALA . . . -38.8 119.95 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 624' ' ' GLY . . . . . 0.422 ' C ' ' CG2' ' A' ' 625' ' ' THR . . . -80.81 -128.36 0.83 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.458 1.098 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 625' ' ' THR . . . . . 0.422 ' CG2' ' C ' ' A' ' 624' ' ' GLY . 42.1 p -151.54 162.64 40.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 0.747 . . . . 0.0 110.398 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 626' ' ' ILE . . . . . 0.411 ' HA ' ' O ' ' A' ' 614' ' ' THR . 0.0 OUTLIER -121.33 136.63 57.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.05 122.79 38.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.165 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.18 148.88 37.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.419 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 107.58 141.58 9.97 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.481 1.113 . . . . 0.0 111.04 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . 0.461 ' CB ' HG23 ' A' ' 612' ' ' THR . . . -59.6 118.15 28.9 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.451 0.736 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . 0.519 ' HG2' ' CD2' ' A' ' 539' ' ' TYR . 18.2 Cg_endo -75.03 155.69 42.8 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.502 1.79 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.33 79.36 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.969 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 633' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.549 1.156 . . . . 0.0 111.0 -179.954 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 531' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 532' ' ' THR . . . -139.57 -144.84 4.61 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 532' ' ' THR . . . . . 0.507 ' CB ' ' HB3' ' A' ' 580' ' ' ASP . 22.2 p 38.63 -159.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 0.0 110.374 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 533' ' ' THR . . . . . 0.405 ' HB ' ' CA ' ' A' ' 582' ' ' GLY . 5.1 m -154.35 -76.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.359 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 534' ' ' ASN . . . . . 0.47 ' ND2' ' HG1' ' A' ' 610' ' ' THR . 1.1 t-20 -70.11 171.49 9.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 580' ' ' ASP . 0.4 OUTLIER -146.05 158.92 43.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 578' ' ' THR . 0.5 OUTLIER -123.65 124.35 69.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 2.9 m -100.61 124.13 45.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.414 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 1.4 t -126.02 126.62 70.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.35 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 539' ' ' TYR . . . . . 0.553 ' CD2' ' HG2' ' A' ' 631' ' ' PRO . 2.5 m-85 -110.55 128.94 55.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 540' ' ' TYR . . . . . 0.618 ' CE1' ' O ' ' A' ' 541' ' ' LYS . 3.0 t80 -119.54 138.98 52.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 541' ' ' LYS . . . . . 0.618 ' O ' ' CE1' ' A' ' 540' ' ' TYR . 9.6 tttp -93.77 132.02 38.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 542' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 543' ' ' GLY . 0.1 OUTLIER -80.62 137.66 36.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 543' ' ' GLY . . . . . 0.431 ' N ' ' HG3' ' A' ' 542' ' ' LYS . . . 154.42 -133.13 3.75 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 -0.003 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -152.02 -82.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 0.786 . . . . 0.0 111.042 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 545' ' ' ASN . . . . . 0.556 ' O ' ' CB ' ' A' ' 546' ' ' SER . 9.7 m-80 -147.82 24.63 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 546' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' A' ' 545' ' ' ASN . 1.2 m 90.13 72.16 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.992 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 149.52 36.55 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 548' ' ' TYR . . . . . 0.49 ' CE2' ' HB2' ' A' ' 565' ' ' LYS . 7.8 m-85 -91.6 156.93 17.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . 0.523 ' CG2' ' O ' ' A' ' 590' ' ' ALA . 3.7 mt -126.34 144.96 34.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 550' ' ' HIS . . . . . 0.475 ' N ' HG21 ' A' ' 549' ' ' ILE . 2.9 t60 -129.33 116.36 18.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.593 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 551' ' ' TYR . . . . . 0.425 ' CA ' ' O ' ' A' ' 588' ' ' GLU . 0.1 OUTLIER -125.73 159.19 32.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.959 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 552' ' ' ARG . . . . . 0.571 ' NE ' ' CD1' ' A' ' 558' ' ' TRP . 4.4 ttm180 -137.71 132.0 17.27 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 553' ' ' PRO . . . . . 0.567 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.2 Cg_endo -75.01 159.6 41.13 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.458 1.767 . . . . 0.0 110.96 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -45.22 -26.77 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . 0.418 ' N ' ' C ' ' A' ' 553' ' ' PRO . . . -60.28 -19.29 52.1 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.442 1.089 . . . . 0.0 111.039 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . 0.496 ' O ' ' NH2' ' A' ' 552' ' ' ARG . . . 82.13 40.87 9.86 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 557' ' ' SER . . . . . 0.567 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 0.0 OUTLIER -110.15 137.73 47.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 110.021 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 558' ' ' TRP . . . . . 0.571 ' CD1' ' NE ' ' A' ' 552' ' ' ARG . 92.5 m95 -120.37 102.54 8.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 108.026 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 559' ' ' THR . . . . . 0.423 ' O ' ' O ' ' A' ' 558' ' ' TRP . 32.3 m -45.12 171.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 110.375 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 560' ' ' ALA . . . . . 0.448 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -61.24 107.63 0.79 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 561' ' ' ALA . . . . . 0.49 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -64.07 132.28 95.24 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 562' ' ' PRO . . . . . 0.56 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.4 Cg_endo -75.0 145.22 83.34 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 120.989 -2.505 . . . . 0.0 111.016 -0.049 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . 0.56 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -32.06 -99.88 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 564' ' ' VAL . . . . . 0.424 ' HB ' ' OH ' ' A' ' 551' ' ' TYR . 1.3 t -137.82 157.6 32.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . 0.49 ' HB2' ' CE2' ' A' ' 548' ' ' TYR . 0.1 OUTLIER -89.71 107.1 18.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 566' ' ' MET . . . . . 0.479 ' CE ' ' CD1' ' A' ' 549' ' ' ILE . 0.0 OUTLIER -33.12 137.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.81 127.05 52.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.78 149.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -87.39 -136.91 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -132.28 7.48 4.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 571' ' ' ILE . . . . . . . . . . . . . 4.6 mm -84.04 -85.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 169.37 97.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.978 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 88.82 8.18 70.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.89 159.65 15.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 575' ' ' ALA . . . . . . . . . . . . . . . -115.47 152.72 32.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -152.67 133.97 14.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 577' ' ' ILE . . . . . 0.583 ' C ' ' CD1' ' A' ' 577' ' ' ILE . 0.2 OUTLIER -134.17 152.22 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 578' ' ' THR . . . . . 0.488 ' N ' ' CD1' ' A' ' 577' ' ' ILE . 30.1 m -126.45 136.08 52.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.376 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . 0.417 ' CG2' HD12 ' A' ' 577' ' ' ILE . 42.1 t -132.13 128.19 58.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 580' ' ' ASP . . . . . 0.532 ' O ' ' CG2' ' A' ' 581' ' ' ILE . 0.2 OUTLIER -86.29 148.86 25.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 581' ' ' ILE . . . . . 0.532 ' CG2' ' O ' ' A' ' 580' ' ' ASP . 44.2 pt -157.53 50.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . 0.405 ' CA ' ' HB ' ' A' ' 533' ' ' THR . . . -54.06 -22.57 21.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.542 1.151 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.37 36.87 4.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 0.775 . . . . 0.0 110.024 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 584' ' ' ALA . . . . . 0.418 ' CB ' ' HB ' ' A' ' 581' ' ' ILE . . . -160.25 142.29 12.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.04 0.41 15.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.994 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -147.63 138.67 23.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 110.314 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . 0.431 HD11 ' CA ' ' A' ' 553' ' ' PRO . 0.5 OUTLIER -144.22 130.25 19.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . 0.451 ' HA ' ' O ' ' A' ' 606' ' ' TYR . 2.0 pm0 -89.93 145.05 25.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 589' ' ' ALA . . . . . 0.41 ' HA ' ' HA ' ' A' ' 551' ' ' TYR . . . -134.9 149.34 50.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . 0.523 ' O ' ' CG2' ' A' ' 549' ' ' ILE . . . -137.28 157.45 46.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 591' ' ' PHE . . . . . 0.733 ' CD2' ' CZ ' ' A' ' 615' ' ' TYR . 1.3 m-85 -122.75 127.99 49.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -148.13 136.25 21.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -25.92 64.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 95.98 33.51 6.3 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.466 1.104 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 44.8 p-10 -149.93 40.3 0.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 109.34 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 39.4 t30 72.59 34.53 1.22 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -129.9 69.22 1.43 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 13.8 m95 -90.96 149.76 21.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 108.024 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -127.41 49.26 2.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 600' ' ' SER . . . . . 0.514 ' O ' ' CB ' ' A' ' 601' ' ' ASN . 0.3 OUTLIER -89.19 17.91 5.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.045 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 601' ' ' ASN . . . . . 0.514 ' CB ' ' O ' ' A' ' 600' ' ' SER . 7.9 t-20 84.05 -55.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 602' ' ' ASN . . . . . 0.407 ' O ' ' OG1' ' A' ' 603' ' ' THR . 0.5 OUTLIER 167.67 -65.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 603' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 602' ' ' ASN . 29.7 m -157.59 56.01 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 110.364 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' A' ' 605' ' ' ASN . 0.0 OUTLIER -177.71 73.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 605' ' ' ASN . . . . . 0.418 ' O ' ' O ' ' A' ' 604' ' ' LYS . 2.7 m120 -51.89 -175.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 606' ' ' TYR . . . . . 0.589 ' HB2' ' CZ ' ' A' ' 608' ' ' PHE . 97.2 m-85 -107.21 163.82 12.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . 0.435 ' N ' ' CD2' ' A' ' 607' ' ' LEU . 0.0 OUTLIER -115.2 122.39 45.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 608' ' ' PHE . . . . . 0.679 ' CE1' ' CD1' ' A' ' 626' ' ' ILE . 9.0 m-85 -126.21 146.01 50.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 32.2 t -111.76 166.2 11.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.044 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 610' ' ' THR . . . . . 0.485 HG21 ' CD1' ' A' ' 581' ' ' ILE . 40.8 p -50.34 166.01 0.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 110.433 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 115.88 -155.0 16.54 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.106 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 612' ' ' THR . . . . . 0.488 ' CG2' ' HA ' ' A' ' 630' ' ' ALA . 36.7 m -112.19 127.64 56.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 0.753 . . . . 0.0 110.384 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 1.4 t -142.52 157.77 44.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 614' ' ' THR . . . . . 0.427 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 20.6 m -133.51 118.43 18.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.143 . . . . 0.0 110.407 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 615' ' ' TYR . . . . . 0.733 ' CZ ' ' CD2' ' A' ' 591' ' ' PHE . 0.1 OUTLIER -99.02 113.46 25.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.972 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 52.6 m -110.53 108.14 58.27 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.351 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 168.28 25.17 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . -110.64 -155.79 14.53 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 2.8 m -128.25 151.48 49.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 0.75 . . . . 0.0 109.989 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 620' ' ' ASN . . . . . . . . . . . . . 4.4 m120 60.96 59.34 2.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . 39.06 55.16 2.39 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 622' ' ' ALA . . . . . . . . . . . . . . . -121.83 104.67 9.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 0.728 . . . . 0.0 109.269 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -41.99 149.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 624' ' ' GLY . . . . . . . . . . . . . . . -108.73 -135.09 7.35 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 21.4 p -151.61 159.36 44.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 110.399 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 626' ' ' ILE . . . . . 0.679 ' CD1' ' CE1' ' A' ' 608' ' ' PHE . 0.2 OUTLIER -114.56 132.09 64.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.352 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -115.81 121.44 42.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.29 146.67 36.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 110.406 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 109.25 140.94 9.11 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . 0.488 ' HA ' ' CG2' ' A' ' 612' ' ' THR . . . -59.66 120.31 48.15 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . 0.553 ' HG2' ' CD2' ' A' ' 539' ' ' TYR . 18.4 Cg_endo -75.04 154.77 42.52 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.521 1.801 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 23.6 t -149.82 76.11 1.28 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.011 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 633' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.52 1.138 . . . . 0.0 110.977 -179.978 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . -80.2 128.22 8.37 Favored Glycine 0 CA--C 1.529 0.969 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 532' ' ' THR . . . . . 0.468 HG23 ' CB ' ' A' ' 580' ' ' ASP . 44.7 p -56.73 -174.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.439 0.729 . . . . 0.0 110.378 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 533' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 532' ' ' THR . 16.1 m -161.75 -43.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.39 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -104.39 169.38 8.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . 0.45 ' HD2' ' CG2' ' A' ' 578' ' ' THR . 15.3 mtmt -147.0 142.88 27.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . 0.445 ' O ' ' HA ' ' A' ' 578' ' ' THR . 2.2 t -116.29 131.05 69.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 80.0 m -101.24 122.02 42.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.396 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -125.47 124.39 66.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 539' ' ' TYR . . . . . 0.524 ' CZ ' ' HB2' ' A' ' 569' ' ' ALA . 0.5 OUTLIER -112.88 124.53 52.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 111.052 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 540' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -121.56 139.7 53.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 3.0 tttm -92.73 112.89 25.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 542' ' ' LYS . . . . . 0.47 ' HA ' ' HA3' ' A' ' 543' ' ' GLY . 7.4 ttpt -86.01 143.38 28.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 543' ' ' GLY . . . . . 0.47 ' HA3' ' HA ' ' A' ' 542' ' ' LYS . . . 140.97 -125.66 2.88 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.521 1.138 . . . . 0.0 110.955 -0.104 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . 0.545 ' CD1' ' HG3' ' A' ' 547' ' ' PRO . 4.1 m-85 -116.36 -125.15 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.749 . . . . 0.0 111.035 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -106.72 -51.43 2.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 546' ' ' SER . . . . . 0.427 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 41.2 m -171.32 63.6 0.38 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.023 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 547' ' ' PRO . . . . . 0.545 ' HG3' ' CD1' ' A' ' 544' ' ' PHE . 18.5 Cg_endo -74.97 146.42 32.76 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 548' ' ' TYR . . . . . 0.56 ' CE2' ' HG3' ' A' ' 565' ' ' LYS . 1.8 m-85 -95.98 161.1 14.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . 0.588 HG12 ' CE2' ' A' ' 551' ' ' TYR . 0.8 OUTLIER -124.28 142.68 40.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.26 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 550' ' ' HIS . . . . . 0.46 ' CD2' ' HB1' ' A' ' 561' ' ' ALA . 2.2 t60 -130.34 117.35 19.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.613 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 551' ' ' TYR . . . . . 0.588 ' CE2' HG12 ' A' ' 549' ' ' ILE . 0.1 OUTLIER -120.32 160.06 23.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 552' ' ' ARG . . . . . 0.574 ' HD3' ' CD1' ' A' ' 558' ' ' TRP . 1.2 ttp85 -133.49 135.33 24.98 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.324 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 553' ' ' PRO . . . . . 0.507 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.2 Cg_endo -74.98 153.16 41.7 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.484 1.781 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -48.38 -24.29 1.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.246 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -53.05 -20.02 8.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.465 1.103 . . . . 0.0 111.031 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 89.1 21.98 40.01 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 557' ' ' SER . . . . . 0.545 ' O ' ' CG ' ' A' ' 552' ' ' ARG . 0.1 OUTLIER -103.75 169.62 8.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 0.786 . . . . 0.0 110.006 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 558' ' ' TRP . . . . . 0.574 ' CD1' ' HD3' ' A' ' 552' ' ' ARG . 87.9 m95 -135.95 117.95 15.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 107.992 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 84.8 m -59.37 169.96 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.419 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -56.89 108.47 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.264 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 561' ' ' ALA . . . . . 0.482 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -78.18 132.59 66.32 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 562' ' ' PRO . . . . . 0.491 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.1 Cg_endo -75.06 145.23 83.29 Favored 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 120.989 -2.504 . . . . 0.0 110.969 0.085 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . 0.491 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -38.3 -99.23 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.52 1.138 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 564' ' ' VAL . . . . . 0.532 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 2.2 t -137.31 159.13 35.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 0.78 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . 0.56 ' HG3' ' CE2' ' A' ' 548' ' ' TYR . 0.0 OUTLIER -84.93 112.8 20.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 566' ' ' MET . . . . . 0.468 ' HG2' ' CG2' ' A' ' 549' ' ' ILE . 0.0 OUTLIER -35.43 133.3 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 111.04 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . 0.438 ' O ' ' O ' ' A' ' 576' ' ' LYS . 19.0 mt-30 -100.51 115.0 29.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 567' ' ' GLN . 0.3 OUTLIER -39.22 149.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 539' ' ' TYR . . . -82.33 -146.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -124.15 3.18 8.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 571' ' ' ILE . . . . . . . . . . . . . 76.0 mt -82.65 -93.66 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 5.8 t 177.9 94.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.011 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 96.03 9.73 56.87 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -103.98 158.51 16.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 575' ' ' ALA . . . . . . . . . . . . . . . -116.71 152.19 34.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 576' ' ' LYS . . . . . 0.438 ' O ' ' O ' ' A' ' 567' ' ' GLN . 0.0 OUTLIER -152.04 128.98 10.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 577' ' ' ILE . . . . . 0.58 ' C ' ' CD1' ' A' ' 577' ' ' ILE . 0.2 OUTLIER -131.33 152.23 36.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 578' ' ' THR . . . . . 0.471 ' N ' ' CD1' ' A' ' 577' ' ' ILE . 65.6 m -115.8 141.75 47.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.37 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . 0.487 HG13 ' CD1' ' A' ' 587' ' ' LEU . 82.8 t -130.83 119.25 44.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 580' ' ' ASP . . . . . 0.468 ' CB ' HG23 ' A' ' 532' ' ' THR . 0.0 OUTLIER -82.38 125.76 31.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 581' ' ' ILE . . . . . 0.477 ' CD1' HG21 ' A' ' 610' ' ' THR . 37.1 pt -137.36 49.18 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -55.0 -20.8 21.6 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.556 1.16 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.86 39.47 3.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 0.767 . . . . 0.0 110.038 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 584' ' ' ALA . . . . . 0.401 ' CB ' ' HB ' ' A' ' 581' ' ' ILE . . . -153.55 143.9 22.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 93.2 p -111.56 -3.53 15.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 110.036 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -151.33 138.49 19.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . 0.487 ' CD1' HG13 ' A' ' 579' ' ' VAL . 5.8 tt -146.83 126.57 13.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . 0.493 ' OE2' ' CZ ' ' A' ' 552' ' ' ARG . 1.5 pm0 -91.42 144.18 25.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 110.28 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 589' ' ' ALA . . . . . 0.442 ' HA ' ' HA ' ' A' ' 551' ' ' TYR . . . -133.55 134.76 43.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -119.53 164.0 16.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 591' ' ' PHE . . . . . 0.816 ' CE1' ' CD2' ' A' ' 615' ' ' TYR . 35.0 m-85 -122.4 127.3 49.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -141.75 136.37 30.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.249 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -54.14 -43.3 70.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . 0.48 ' O ' ' CB ' ' A' ' 595' ' ' ASN . . . 170.79 39.56 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 595' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 594' ' ' GLY . 12.8 t-20 80.48 84.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 0.753 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 596' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' A' ' 595' ' ' ASN . 1.2 m-20 160.38 -27.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -138.95 90.25 2.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 26.1 m95 -97.15 142.7 28.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.122 . . . . 0.0 108.003 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -119.27 44.67 2.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.353 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 600' ' ' SER . . . . . . . . . . . . . 86.2 p -89.22 36.91 0.84 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.992 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 601' ' ' ASN . . . . . 0.509 ' O ' ' CB ' ' A' ' 602' ' ' ASN . 51.4 t30 61.21 24.68 14.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 602' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' A' ' 601' ' ' ASN . 3.8 t-20 82.52 -51.41 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 603' ' ' THR . . . . . 0.413 ' O ' ' HB2' ' A' ' 604' ' ' LYS . 1.8 m -162.49 153.48 17.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.389 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . 0.448 ' O ' ' O ' ' A' ' 605' ' ' ASN . 1.6 mmtt 73.63 71.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 605' ' ' ASN . . . . . 0.479 ' H ' ' ND2' ' A' ' 605' ' ' ASN . 2.8 m-80 -55.54 -163.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.254 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 606' ' ' TYR . . . . . 0.601 ' CB ' ' CZ ' ' A' ' 608' ' ' PHE . 42.7 m-85 -110.07 163.13 13.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . 0.569 ' CD1' ' N ' ' A' ' 607' ' ' LEU . 0.0 OUTLIER -119.2 121.45 39.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 608' ' ' PHE . . . . . 0.601 ' CZ ' ' CB ' ' A' ' 606' ' ' TYR . 11.8 m-85 -127.28 143.47 51.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 9.9 t -112.15 169.35 8.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.962 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 610' ' ' THR . . . . . 0.477 HG21 ' CD1' ' A' ' 581' ' ' ILE . 44.9 p -42.57 164.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.423 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 110.78 -145.86 17.47 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 612' ' ' THR . . . . . . . . . . . . . 25.3 m -121.3 134.58 55.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 0.756 . . . . 0.0 110.408 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 10.0 m -142.23 157.54 44.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.016 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 614' ' ' THR . . . . . 0.445 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 7.2 m -132.99 115.01 14.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.399 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 615' ' ' TYR . . . . . 0.816 ' CD2' ' CE1' ' A' ' 591' ' ' PHE . 90.0 t80 -97.36 114.01 25.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.528 1.143 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 85.8 m -120.13 99.5 48.56 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.332 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 170.09 21.19 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.485 1.782 . . . . 0.0 110.983 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . -98.82 -157.58 29.41 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 619' ' ' SER . . . . . 0.426 ' O ' ' CB ' ' A' ' 620' ' ' ASN . 1.0 OUTLIER -130.02 146.46 51.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 0.738 . . . . 0.0 110.026 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 620' ' ' ASN . . . . . 0.426 ' CB ' ' O ' ' A' ' 619' ' ' SER . 6.4 t30 76.76 45.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.339 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . 52.19 49.45 50.14 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 622' ' ' ALA . . . . . . . . . . . . . . . -123.01 104.82 9.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 0.764 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -40.64 147.43 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 624' ' ' GLY . . . . . . . . . . . . . . . -105.61 -134.38 7.87 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.539 1.149 . . . . 0.0 110.964 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 14.7 p -151.68 161.65 42.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 0.0 110.431 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 626' ' ' ILE . . . . . 0.445 ' HA ' ' O ' ' A' ' 614' ' ' THR . 0.1 OUTLIER -117.98 135.84 57.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.26 122.84 40.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.08 147.22 38.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.378 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 109.3 140.82 9.05 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -59.71 118.69 33.99 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.46 0.741 . . . . 0.0 109.316 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 172.91 15.45 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.505 1.792 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.84 78.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.922 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 633' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.506 1.129 . . . . 0.0 110.957 179.93 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . 58.99 97.8 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 31.3 m 60.01 172.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 0.794 . . . . 0.0 110.394 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 533' ' ' THR . . . . . 0.538 ' O ' ' CG2' ' A' ' 533' ' ' THR . 0.8 OUTLIER -170.84 86.06 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.395 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 534' ' ' ASN . . . . . 0.455 ' HB3' ' CG2' ' A' ' 610' ' ' THR . 1.1 t-20 -99.84 -177.77 3.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 579' ' ' VAL . 10.8 mtmm -144.94 152.64 40.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . 0.503 ' CG2' ' HB ' ' A' ' 579' ' ' VAL . 34.1 m -119.55 115.03 46.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 90.0 m -100.82 121.22 41.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.382 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 3.8 t -127.5 135.56 62.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 539' ' ' TYR . . . . . 0.543 ' CE1' ' HB2' ' A' ' 576' ' ' LYS . 4.2 m-85 -109.63 134.22 52.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 540' ' ' TYR . . . . . 0.581 ' CD1' ' CE2' ' A' ' 615' ' ' TYR . 1.8 t80 -118.58 139.24 51.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.412 1.07 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 541' ' ' LYS . . . . . 0.471 ' O ' ' CE1' ' A' ' 540' ' ' TYR . 0.1 OUTLIER -93.32 113.92 26.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 542' ' ' LYS . . . . . 0.497 ' HG3' ' CA ' ' A' ' 543' ' ' GLY . 6.7 ttpt -93.93 142.01 27.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.351 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 543' ' ' GLY . . . . . 0.497 ' CA ' ' HG3' ' A' ' 542' ' ' LYS . . . 143.38 -131.33 4.47 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.538 1.148 . . . . 0.0 110.959 -0.024 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . 0.518 ' CD1' ' N ' ' A' ' 544' ' ' PHE . 3.6 m-85 -118.03 -137.4 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.765 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 545' ' ' ASN . . . . . 0.437 ' H ' ' ND2' ' A' ' 545' ' ' ASN . 1.0 OUTLIER -103.98 -49.04 3.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 41.3 m -139.55 68.45 38.13 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.988 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 141.67 26.87 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.482 1.78 . . . . 0.0 110.979 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 548' ' ' TYR . . . . . 0.52 ' CZ ' ' HB2' ' A' ' 565' ' ' LYS . 1.4 m-85 -124.72 150.57 46.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 110.959 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . 0.515 ' CG2' ' O ' ' A' ' 590' ' ' ALA . 3.6 mt -126.3 144.72 35.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 550' ' ' HIS . . . . . 0.566 ' CD2' ' HB1' ' A' ' 561' ' ' ALA . 1.5 t60 -124.9 115.19 20.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.583 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 551' ' ' TYR . . . . . 0.545 ' CE2' HD12 ' A' ' 577' ' ' ILE . 0.1 OUTLIER -125.84 158.42 35.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 552' ' ' ARG . . . . . 0.536 ' CG ' ' O ' ' A' ' 557' ' ' SER . 0.0 OUTLIER -135.72 133.48 20.12 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.343 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 553' ' ' PRO . . . . . 0.544 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.2 Cg_endo -75.02 155.79 42.84 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.51 1.795 . . . . 0.0 110.972 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . 0.466 ' HB2' ' CB ' ' A' ' 584' ' ' ALA . . . -40.31 -30.05 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . 0.438 ' N ' ' C ' ' A' ' 553' ' ' PRO . . . -52.41 -23.0 11.85 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.496 1.122 . . . . 0.0 111.039 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 86.11 27.82 29.98 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 557' ' ' SER . . . . . 0.544 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 0.3 OUTLIER -100.63 140.2 35.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 0.728 . . . . 0.0 109.975 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 558' ' ' TRP . . . . . 0.535 ' CD2' ' HB2' ' A' ' 552' ' ' ARG . 90.6 m95 -122.4 97.46 5.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 108.001 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 559' ' ' THR . . . . . 0.487 ' CG2' ' N ' ' A' ' 560' ' ' ALA . 1.4 m -46.01 169.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.424 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 560' ' ' ALA . . . . . 0.487 ' N ' ' CG2' ' A' ' 559' ' ' THR . . . -55.33 109.68 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 561' ' ' ALA . . . . . 0.566 ' HB1' ' CD2' ' A' ' 550' ' ' HIS . . . -68.27 132.47 91.62 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 562' ' ' PRO . . . . . 0.498 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.3 Cg_endo -75.02 143.66 78.49 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 121.023 -2.49 . . . . 0.0 110.983 0.002 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . 0.498 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -35.11 -98.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.477 1.111 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 2.1 t -137.11 158.55 36.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 548' ' ' TYR . 1.2 ttpp -89.11 110.42 21.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 566' ' ' MET . . . . . 0.5 ' HG3' ' CD1' ' A' ' 549' ' ' ILE . 0.0 OUTLIER -36.25 141.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.98 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -105.79 133.84 49.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.29 150.01 0.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.473 ' CB ' ' HB3' ' A' ' 576' ' ' LYS . . . -94.89 -142.87 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.242 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -125.91 10.45 7.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 571' ' ' ILE . . . . . 0.428 ' O ' ' CB ' ' A' ' 572' ' ' SER . 17.4 mm -83.18 -83.4 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 572' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' A' ' 571' ' ' ILE . 0.6 OUTLIER 165.15 95.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 89.0 7.97 69.69 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -107.2 161.02 15.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 110.989 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 575' ' ' ALA . . . . . . . . . . . . . . . -115.72 154.99 28.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 576' ' ' LYS . . . . . 0.543 ' HB2' ' CE1' ' A' ' 539' ' ' TYR . 0.0 OUTLIER -154.2 138.42 16.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 577' ' ' ILE . . . . . 0.545 HD12 ' CE2' ' A' ' 551' ' ' TYR . 0.8 OUTLIER -134.71 152.08 32.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 578' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 4.9 m -128.89 129.13 45.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.421 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . 0.503 ' HB ' ' CG2' ' A' ' 536' ' ' VAL . 2.2 t -127.61 130.86 70.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 580' ' ' ASP . . . . . 0.421 ' HA ' ' O ' ' A' ' 534' ' ' ASN . 21.7 t70 -78.72 149.38 32.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 581' ' ' ILE . . . . . 0.471 HD12 ' CG1' ' A' ' 536' ' ' VAL . 40.3 pt -151.48 48.68 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . 0.537 ' CA ' ' HA ' ' A' ' 533' ' ' THR . . . -50.85 -29.81 20.38 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.89 36.69 4.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 0.737 . . . . 0.0 110.048 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 584' ' ' ALA . . . . . 0.466 ' CB ' ' HB2' ' A' ' 554' ' ' ALA . . . -151.96 139.46 19.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 51.2 m -116.67 6.25 13.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.011 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 586' ' ' GLN . . . . . 0.487 ' HB3' ' CG ' ' A' ' 607' ' ' LEU . 72.4 mt-30 -149.79 139.08 21.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 110.319 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 5.9 tt -141.36 128.0 20.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . 0.481 ' CG ' ' HB2' ' A' ' 605' ' ' ASN . 1.5 tt0 -89.68 146.67 24.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 589' ' ' ALA . . . . . . . . . . . . . . . -138.98 146.89 41.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . 0.515 ' O ' ' CG2' ' A' ' 549' ' ' ILE . . . -137.81 153.81 49.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 591' ' ' PHE . . . . . 0.804 ' CE2' ' CD1' ' A' ' 615' ' ' TYR . 1.6 m-85 -115.94 127.56 55.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 592' ' ' ASN . . . . . 0.559 ' HB3' ' CE3' ' A' ' 598' ' ' TRP . 2.5 p30 -149.05 136.34 20.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -56.91 -53.87 53.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . 0.509 ' O ' ' CB ' ' A' ' 595' ' ' ASN . . . 178.37 38.38 0.06 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 595' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' A' ' 594' ' ' GLY . 8.8 t-20 82.42 86.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 596' ' ' ASN . . . . . 0.481 ' CB ' ' O ' ' A' ' 595' ' ' ASN . 2.8 m-20 157.44 -25.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -140.18 86.79 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.268 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 598' ' ' TRP . . . . . 0.559 ' CE3' ' HB3' ' A' ' 592' ' ' ASN . 39.2 m95 -96.85 124.17 40.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 108.036 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.93 -18.0 21.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 600' ' ' SER . . . . . 0.485 ' O ' ' CB ' ' A' ' 601' ' ' ASN . 11.7 t -42.55 -69.33 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.004 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 601' ' ' ASN . . . . . 0.524 ' O ' ' CB ' ' A' ' 602' ' ' ASN . 1.0 OUTLIER 157.45 -26.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 602' ' ' ASN . . . . . 0.524 ' CB ' ' O ' ' A' ' 601' ' ' ASN . 5.5 t30 83.31 -6.69 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 603' ' ' THR . . . . . 0.51 ' CG2' ' O ' ' A' ' 603' ' ' THR . 1.2 t -176.34 34.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.378 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 605' ' ' ASN . 2.4 tptt -171.49 46.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 605' ' ' ASN . . . . . 0.481 ' HB2' ' CG ' ' A' ' 588' ' ' GLU . 0.7 OUTLIER -58.79 -156.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 606' ' ' TYR . . . . . 0.471 ' CB ' HD12 ' A' ' 626' ' ' ILE . 28.5 m-85 -129.87 130.48 45.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . 0.487 ' CG ' ' HB3' ' A' ' 586' ' ' GLN . 5.8 tt -114.17 132.98 55.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 608' ' ' PHE . . . . . 0.577 ' CZ ' ' HB ' ' A' ' 626' ' ' ILE . 25.9 m-85 -144.5 159.39 42.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 111.039 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 609' ' ' SER . . . . . 0.423 ' O ' ' O ' ' A' ' 610' ' ' THR . 19.3 t -110.68 174.22 5.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.026 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 610' ' ' THR . . . . . 0.455 ' CG2' ' HB3' ' A' ' 534' ' ' ASN . 24.2 p -37.39 156.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.386 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 122.03 -162.92 15.62 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.537 1.148 . . . . 0.0 111.031 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 612' ' ' THR . . . . . . . . . . . . . 2.1 m -111.2 125.93 54.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 0.724 . . . . 0.0 110.379 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.74 156.41 48.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.971 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 614' ' ' THR . . . . . 0.473 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 5.7 m -134.9 118.28 16.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.405 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 615' ' ' TYR . . . . . 0.804 ' CD1' ' CE2' ' A' ' 591' ' ' PHE . 0.0 OUTLIER -96.32 120.01 35.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.972 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 59.6 m -120.89 112.92 33.29 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.398 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 89.01 1.19 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.56 1.821 . . . . 0.0 110.98 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . -87.6 -153.58 25.43 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 619' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 622' ' ' ALA . 2.0 m 174.01 -33.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 109.999 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 620' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -87.85 76.01 8.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . 100.09 -36.89 3.82 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.116 . . . . 0.0 110.939 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 622' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 619' ' ' SER . . . -118.22 104.1 10.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 0.78 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -94.12 102.18 14.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 624' ' ' GLY . . . . . . . . . . . . . . . 47.88 98.34 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.429 1.081 . . . . 0.0 111.035 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 33.5 p -136.62 150.13 48.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 0.743 . . . . 0.0 110.401 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 626' ' ' ILE . . . . . 0.577 ' HB ' ' CZ ' ' A' ' 608' ' ' PHE . 0.8 OUTLIER -120.62 128.51 76.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.49 131.32 55.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.26 147.31 38.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.389 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 112.51 140.61 7.95 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.491 1.119 . . . . 0.0 111.038 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -59.85 123.36 71.45 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.517 0.775 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 163.79 34.68 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.497 1.788 . . . . 0.0 111.025 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 33.3 t -141.91 80.98 1.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.005 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 633' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.465 1.103 . . . . 0.0 111.055 -179.936 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . 170.23 98.09 0.11 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 532' ' ' THR . . . . . 0.494 ' O ' ' CB ' ' A' ' 533' ' ' THR . 25.8 p -38.63 -45.75 1.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 0.776 . . . . 0.0 110.4 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 533' ' ' THR . . . . . 0.516 ' O ' ' CG2' ' A' ' 533' ' ' THR . 0.5 OUTLIER 82.36 109.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.408 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 534' ' ' ASN . . . . . 0.408 ' OD1' ' N ' ' A' ' 534' ' ' ASN . 0.3 OUTLIER -70.0 174.42 5.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -142.48 141.72 32.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . 0.502 ' CG2' ' HB ' ' A' ' 579' ' ' VAL . 25.8 m -114.73 114.8 47.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 24.3 m -100.68 124.23 45.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.379 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 21.6 t -125.54 140.92 46.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 539' ' ' TYR . . . . . 0.556 ' CE2' ' HB1' ' A' ' 569' ' ' ALA . 4.4 m-85 -111.87 134.17 53.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 540' ' ' TYR . . . . . 0.568 ' CE2' ' HG3' ' A' ' 617' ' ' PRO . 29.5 t80 -118.25 138.86 52.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -90.69 127.39 36.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.25 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 542' ' ' LYS . . . . . 0.413 ' HA ' ' HA3' ' A' ' 543' ' ' GLY . 0.2 OUTLIER -80.18 136.51 36.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.355 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 543' ' ' GLY . . . . . 0.413 ' HA3' ' HA ' ' A' ' 542' ' ' LYS . . . 157.42 -154.41 25.51 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 0.046 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -124.23 -76.56 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 0.0 110.984 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -156.66 -48.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 546' ' ' SER . . . . . 0.448 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 34.8 p -174.4 62.58 0.25 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.992 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 547' ' ' PRO . . . . . 0.448 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.2 Cg_endo -75.0 148.37 35.18 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.528 1.804 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 548' ' ' TYR . . . . . 0.404 ' CZ ' ' HB2' ' A' ' 565' ' ' LYS . 6.8 m-85 -105.17 160.79 14.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . 0.59 HG12 ' CE2' ' A' ' 551' ' ' TYR . 0.2 OUTLIER -130.26 143.5 40.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 550' ' ' HIS . . . . . 0.409 ' N ' HG13 ' A' ' 549' ' ' ILE . 0.7 OUTLIER -127.43 117.78 22.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.586 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 551' ' ' TYR . . . . . 0.59 ' CE2' HG12 ' A' ' 549' ' ' ILE . 0.2 OUTLIER -127.9 159.93 33.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 111.032 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 552' ' ' ARG . . . . . 0.578 ' HD3' ' CD1' ' A' ' 558' ' ' TRP . 0.3 OUTLIER -143.88 151.54 53.16 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.339 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 553' ' ' PRO . . . . . 0.511 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.2 Cg_endo -75.01 155.97 42.92 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.472 1.775 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . 0.475 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -33.65 -73.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -126.12 85.98 0.35 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -146.43 -90.95 0.1 Allowed Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 557' ' ' SER . . . . . 0.511 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 30.2 t -167.19 -179.17 4.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 0.783 . . . . 0.0 109.997 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 558' ' ' TRP . . . . . 0.578 ' CD1' ' HD3' ' A' ' 552' ' ' ARG . 62.9 m95 -108.55 117.37 33.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 108.06 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 559' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 558' ' ' TRP . 6.3 m -47.15 174.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.42 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 560' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -72.22 107.66 4.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 561' ' ' ALA . . . . . 0.503 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -69.37 134.38 88.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 562' ' ' PRO . . . . . 0.552 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.2 Cg_endo -75.02 147.52 89.46 Favored 'Cis proline' 0 C--N 1.361 1.219 0 C-N-CA 120.978 -2.509 . . . . 0.0 110.96 0.038 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . 0.552 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -39.9 -103.25 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 564' ' ' VAL . . . . . 0.511 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.9 t -137.04 158.67 36.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.449 0.735 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 566' ' ' MET . 0.0 OUTLIER -89.43 109.74 20.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 566' ' ' MET . . . . . 0.477 ' HG2' ' CG2' ' A' ' 549' ' ' ILE . 0.0 OUTLIER -35.11 131.06 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -102.59 127.98 49.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.307 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.43 149.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.556 ' HB1' ' CE2' ' A' ' 539' ' ' TYR . . . -88.05 -143.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -124.96 8.72 8.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.344 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 571' ' ' ILE . . . . . 0.415 HG22 ' N ' ' A' ' 572' ' ' SER . 10.7 mm -84.5 -94.18 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 572' ' ' SER . . . . . 0.415 ' N ' HG22 ' A' ' 571' ' ' ILE . 0.1 OUTLIER 175.78 94.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 110.016 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 94.21 6.81 61.28 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -104.41 160.66 14.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 111.017 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 575' ' ' ALA . . . . . . . . . . . . . . . -115.79 155.5 27.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 576' ' ' LYS . . . . . 0.46 ' CD ' ' HA ' ' A' ' 569' ' ' ALA . 0.0 OUTLIER -151.94 138.95 19.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 0.0 109.366 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 577' ' ' ILE . . . . . 0.584 ' C ' ' CD1' ' A' ' 577' ' ' ILE . 0.2 OUTLIER -141.89 151.64 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 578' ' ' THR . . . . . 0.485 ' N ' ' CD1' ' A' ' 577' ' ' ILE . 29.4 m -128.43 135.85 50.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 110.41 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . 0.57 HG23 ' CE1' ' A' ' 551' ' ' TYR . 54.2 t -132.06 119.67 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 580' ' ' ASP . . . . . 0.406 ' HA ' ' O ' ' A' ' 534' ' ' ASN . 0.0 OUTLIER -82.1 125.48 30.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 581' ' ' ILE . . . . . 0.493 ' CD1' ' O ' ' A' ' 584' ' ' ALA . 6.8 pt -99.5 -56.47 5.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . 0.534 ' O ' ' CB ' ' A' ' 583' ' ' SER . . . 58.1 98.18 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.484 1.115 . . . . 0.0 110.963 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 583' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 582' ' ' GLY . 1.2 t 87.7 23.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 0.73 . . . . 0.0 110.014 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 584' ' ' ALA . . . . . 0.493 ' O ' ' CD1' ' A' ' 581' ' ' ILE . . . -135.75 143.34 45.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 89.8 p -114.79 1.09 14.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.988 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -151.27 138.43 19.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 110.271 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . 0.451 HD12 ' CG1' ' A' ' 579' ' ' VAL . 0.3 OUTLIER -144.0 133.78 23.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 606' ' ' TYR . 1.9 pm0 -92.65 142.09 27.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 589' ' ' ALA . . . . . 0.404 ' CB ' ' HB3' ' A' ' 551' ' ' TYR . . . -139.05 135.24 34.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -121.25 158.03 28.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 0.0 109.345 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 591' ' ' PHE . . . . . 0.765 ' CZ ' ' CG ' ' A' ' 615' ' ' TYR . 40.0 m-85 -125.58 127.75 46.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 592' ' ' ASN . . . . . 0.513 ' HB3' ' CD2' ' A' ' 598' ' ' TRP . 9.0 p30 -151.02 143.9 24.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.6 -16.35 61.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.358 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 94.25 26.53 13.81 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 595' ' ' ASN . . . . . 0.441 ' C ' ' N ' ' A' ' 597' ' ' ASN . 0.7 OUTLIER -154.4 77.96 1.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 0.777 . . . . 0.0 109.251 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 41.92 28.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 597' ' ' ASN . . . . . 0.441 ' N ' ' C ' ' A' ' 595' ' ' ASN . 7.6 m-20 -122.79 76.25 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 598' ' ' TRP . . . . . 0.513 ' CD2' ' HB3' ' A' ' 592' ' ' ASN . 34.5 m95 -104.05 153.38 20.94 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.59 3.7 12.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 600' ' ' SER . . . . . 0.487 ' O ' ' CB ' ' A' ' 601' ' ' ASN . 48.8 m -49.2 -71.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.992 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 601' ' ' ASN . . . . . 0.487 ' CB ' ' O ' ' A' ' 600' ' ' SER . 4.0 m-20 156.19 -59.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 602' ' ' ASN . . . . . 0.41 ' O ' ' OG1' ' A' ' 603' ' ' THR . 10.0 t30 176.01 -64.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 603' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 602' ' ' ASN . 64.5 m -157.59 54.67 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.412 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 605' ' ' ASN . 0.4 OUTLIER -175.1 71.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 605' ' ' ASN . . . . . 0.411 ' O ' ' O ' ' A' ' 604' ' ' LYS . 17.3 m-80 -57.53 -159.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 606' ' ' TYR . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 608' ' ' PHE . 85.2 m-85 -112.96 162.5 15.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 1.9 mp -114.48 122.64 47.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 608' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 606' ' ' TYR . 14.0 m-85 -127.64 148.8 50.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 2.3 t -111.37 167.61 10.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.961 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 610' ' ' THR . . . . . 0.483 ' HA ' ' CG1' ' A' ' 536' ' ' VAL . 45.0 p -54.04 173.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 110.425 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 102.28 -142.48 15.61 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 612' ' ' THR . . . . . 0.47 ' CG2' ' HA ' ' A' ' 630' ' ' ALA . 55.5 m -114.3 131.75 56.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 110.35 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -142.94 157.44 44.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.979 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 614' ' ' THR . . . . . 0.506 ' O ' ' CG2' ' A' ' 626' ' ' ILE . 10.8 m -133.92 131.96 39.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.373 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 615' ' ' TYR . . . . . 0.765 ' CG ' ' CZ ' ' A' ' 591' ' ' PHE . 4.2 t80 -115.83 119.73 36.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 110.953 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 30.3 m -112.61 112.12 51.39 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.429 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . 0.568 ' HG3' ' CE2' ' A' ' 540' ' ' TYR . 18.3 Cg_endo -75.0 152.25 40.51 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.509 1.794 . . . . 0.0 110.982 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . -84.73 -158.13 28.34 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 9.3 t -96.52 39.57 1.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 0.785 . . . . 0.0 110.019 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 620' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 65.53 128.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . 87.26 -19.67 30.14 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.461 1.101 . . . . 0.0 111.004 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 622' ' ' ALA . . . . . . . . . . . . . . . -123.23 104.72 9.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -52.24 161.33 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 624' ' ' GLY . . . . . . . . . . . . . . . -112.34 -138.02 7.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.546 1.154 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 10.3 p -151.87 167.29 28.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.764 . . . . 0.0 110.384 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 626' ' ' ILE . . . . . 0.506 ' CG2' ' O ' ' A' ' 614' ' ' THR . 0.2 OUTLIER -120.43 125.1 73.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -107.55 122.4 46.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.23 151.01 36.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 110.387 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 102.85 141.78 11.75 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.573 1.171 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . 0.47 ' HA ' ' CG2' ' A' ' 612' ' ' THR . . . -59.45 118.56 31.98 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.452 0.736 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . 0.431 ' HG3' ' CG2' ' A' ' 614' ' ' THR . 18.2 Cg_endo -75.08 153.53 41.46 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.48 1.779 . . . . 0.0 111.001 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.83 69.78 1.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.045 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 633' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . -47.82 -59.97 5.77 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 8.7 m 55.3 18.05 2.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 0.0 110.422 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 533' ' ' THR . . . . . 0.462 ' HB ' ' CA ' ' A' ' 582' ' ' GLY . 2.6 m -81.7 -83.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.448 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 534' ' ' ASN . . . . . 0.499 ' C ' ' CD ' ' A' ' 535' ' ' LYS . 2.1 m-20 -99.79 162.59 12.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . 0.499 ' CD ' ' C ' ' A' ' 534' ' ' ASN . 0.1 OUTLIER -148.73 149.51 31.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . 0.513 ' CG2' ' HB ' ' A' ' 579' ' ' VAL . 8.0 m -116.02 112.98 41.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 55.4 m -100.37 124.4 45.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.42 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 2.8 t -127.35 134.09 66.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 539' ' ' TYR . . . . . 0.41 ' CD2' ' HG2' ' A' ' 631' ' ' PRO . 2.8 m-85 -109.33 117.28 33.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 111.034 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 540' ' ' TYR . . . . . 0.597 ' CD2' ' CE1' ' A' ' 591' ' ' PHE . 22.0 t80 -109.39 138.76 45.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -89.25 123.01 33.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 542' ' ' LYS . . . . . 0.543 ' CG ' ' HA3' ' A' ' 543' ' ' GLY . 6.9 ttmt -87.88 138.55 31.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.333 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 543' ' ' GLY . . . . . 0.543 ' HA3' ' CG ' ' A' ' 542' ' ' LYS . . . 150.19 -122.52 1.42 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 -0.001 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -131.52 -87.31 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 0.719 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 545' ' ' ASN . . . . . 0.485 ' O ' ' CB ' ' A' ' 546' ' ' SER . 0.5 OUTLIER -148.92 27.56 0.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 546' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 545' ' ' ASN . 0.7 OUTLIER 85.5 69.08 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 173.72 14.03 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.482 1.78 . . . . 0.0 111.018 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -108.03 143.24 37.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . 0.57 HD12 ' CE1' ' A' ' 591' ' ' PHE . 4.1 mt -116.65 144.31 24.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 550' ' ' HIS . . . . . 0.563 ' CD2' ' HB3' ' A' ' 561' ' ' ALA . 1.1 t60 -130.0 117.09 19.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.626 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 551' ' ' TYR . . . . . 0.538 ' CD1' HG21 ' A' ' 579' ' ' VAL . 0.3 OUTLIER -126.58 160.57 30.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 111.019 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 552' ' ' ARG . . . . . 0.525 ' HD3' ' CD1' ' A' ' 558' ' ' TRP . 0.2 OUTLIER -141.65 152.06 61.97 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 553' ' ' PRO . . . . . 0.515 ' O ' ' C ' ' A' ' 554' ' ' ALA . 18.3 Cg_endo -75.01 152.45 40.7 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.448 1.762 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -30.31 -72.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -126.19 86.65 0.35 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -147.65 -91.55 0.1 Allowed Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 557' ' ' SER . . . . . 0.513 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 40.0 t -168.63 179.83 4.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 0.792 . . . . 0.0 110.017 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 558' ' ' TRP . . . . . 0.525 ' CD1' ' HD3' ' A' ' 552' ' ' ARG . 53.3 m95 -105.67 112.94 26.22 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 559' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 558' ' ' TRP . 88.9 m -46.34 173.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.393 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 560' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -65.27 107.8 1.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 561' ' ' ALA . . . . . 0.563 ' HB3' ' CD2' ' A' ' 550' ' ' HIS . . . -71.7 133.9 84.27 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.301 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 562' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 561' ' ' ALA . 18.3 Cg_endo -75.0 147.0 88.2 Favored 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 121.04 -2.483 . . . . 0.0 111.015 0.006 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . 0.484 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -40.63 -99.27 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 564' ' ' VAL . . . . . 0.518 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.5 t -136.54 157.83 37.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.531 0.783 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . 0.495 ' O ' ' C ' ' A' ' 566' ' ' MET . 0.0 OUTLIER -86.05 119.84 26.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.576 1.172 . . . . 0.0 109.318 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 566' ' ' MET . . . . . 0.495 ' C ' ' O ' ' A' ' 565' ' ' LYS . 0.3 OUTLIER -29.02 118.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 111.031 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 576' ' ' LYS . 0.1 OUTLIER -86.6 106.57 17.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 567' ' ' GLN . 0.1 OUTLIER -39.76 143.6 0.23 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -90.4 -151.18 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.78 2.6 11.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 571' ' ' ILE . . . . . 0.546 ' O ' ' CB ' ' A' ' 572' ' ' SER . 9.0 mt -78.75 -23.68 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 572' ' ' SER . . . . . 0.546 ' CB ' ' O ' ' A' ' 571' ' ' ILE . 1.8 t 88.46 108.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.001 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 90.61 -1.37 78.72 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -108.88 161.28 15.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 0.786 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 575' ' ' ALA . . . . . . . . . . . . . . . -115.02 156.21 25.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 576' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 567' ' ' GLN . 0.4 OUTLIER -153.91 132.85 12.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 577' ' ' ILE . . . . . 0.557 ' O ' ' CD1' ' A' ' 577' ' ' ILE . 0.0 OUTLIER -130.42 146.82 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.342 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 578' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 5.3 m -127.12 132.99 50.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 110.431 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . 0.538 HG21 ' CD1' ' A' ' 551' ' ' TYR . 44.1 t -129.82 130.83 66.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.247 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 580' ' ' ASP . . . . . 0.404 ' O ' ' CG2' ' A' ' 581' ' ' ILE . 3.2 t70 -79.75 150.23 30.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 581' ' ' ILE . . . . . 0.43 ' CD1' HG21 ' A' ' 610' ' ' THR . 38.9 pt -152.88 48.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . 0.462 ' CA ' ' HB ' ' A' ' 533' ' ' THR . . . -53.34 -24.92 24.78 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.134 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -128.12 44.28 2.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.764 . . . . 0.0 110.009 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 584' ' ' ALA . . . . . . . . . . . . . . . -159.66 141.8 13.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.85 -5.14 17.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.996 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -143.06 138.54 30.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.309 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . 0.562 ' CD1' ' C ' ' A' ' 587' ' ' LEU . 0.3 OUTLIER -128.97 143.68 50.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . 0.507 ' O ' ' CB ' ' A' ' 551' ' ' TYR . 1.7 pm0 -116.77 143.45 45.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 589' ' ' ALA . . . . . 0.505 ' CB ' ' HB3' ' A' ' 551' ' ' TYR . . . -139.57 150.38 44.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.138 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . 0.474 ' O ' ' CG2' ' A' ' 549' ' ' ILE . . . -132.38 161.94 32.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 0.0 109.285 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 591' ' ' PHE . . . . . 0.597 ' CE1' ' CD2' ' A' ' 540' ' ' TYR . 86.5 m-85 -115.44 140.66 48.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 110.963 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 592' ' ' ASN . . . . . 0.419 ' HB3' ' CD2' ' A' ' 598' ' ' TRP . 11.5 p30 -159.14 135.21 8.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -81.94 -13.74 57.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 92.92 16.72 46.88 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -134.56 64.22 1.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 44.24 29.07 0.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -119.76 85.54 2.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 598' ' ' TRP . . . . . 0.419 ' CD2' ' HB3' ' A' ' 592' ' ' ASN . 58.4 m95 -101.31 136.65 40.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 107.989 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -121.28 56.75 1.03 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 600' ' ' SER . . . . . 0.486 ' O ' ' CB ' ' A' ' 601' ' ' ASN . 93.2 p -107.41 20.66 18.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.973 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 601' ' ' ASN . . . . . 0.486 ' CB ' ' O ' ' A' ' 600' ' ' SER . 17.6 t30 81.52 -56.76 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -167.7 -70.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 603' ' ' THR . . . . . . . . . . . . . 2.8 t -172.98 31.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.412 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 605' ' ' ASN . 0.9 OUTLIER -118.4 -9.83 10.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 605' ' ' ASN . . . . . 0.455 ' OD1' ' N ' ' A' ' 606' ' ' TYR . 11.1 p30 38.38 -155.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 606' ' ' TYR . . . . . 0.655 ' CB ' ' CZ ' ' A' ' 608' ' ' PHE . 96.7 m-85 -129.63 161.76 29.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 111.038 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -114.5 121.06 42.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 608' ' ' PHE . . . . . 0.655 ' CZ ' ' CB ' ' A' ' 606' ' ' TYR . 11.2 m-85 -129.74 150.46 51.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 8.5 t -111.21 166.9 10.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.014 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 610' ' ' THR . . . . . 0.469 ' HA ' ' CG1' ' A' ' 536' ' ' VAL . 68.5 p -47.57 170.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.374 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 105.65 -157.76 16.08 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 612' ' ' THR . . . . . 0.465 ' CG2' ' HA ' ' A' ' 630' ' ' ALA . 1.3 m -103.15 132.77 49.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.562 0.801 . . . . 0.0 110.424 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.94 158.0 43.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 614' ' ' THR . . . . . 0.477 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 2.6 m -133.22 114.74 14.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 110.41 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 615' ' ' TYR . . . . . 0.639 ' CE1' ' CG1' ' A' ' 626' ' ' ILE . 0.1 OUTLIER -96.01 114.75 26.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 0.0 111.024 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 3.7 m -103.56 114.23 64.97 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.415 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . 0.543 ' HG3' ' CZ ' ' A' ' 540' ' ' TYR . 18.3 Cg_endo -74.98 54.41 3.62 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.468 1.772 . . . . 0.0 110.985 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 617' ' ' PRO . . . 35.63 -152.95 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.51 -55.15 5.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.775 . . . . 0.0 109.975 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 620' ' ' ASN . . . . . 0.404 ' C ' ' N ' ' A' ' 622' ' ' ALA . 7.8 m120 -165.98 127.12 1.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . 41.6 28.01 0.35 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 622' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 623' ' ' ALA . . . -123.75 105.12 9.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 0.741 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 622' ' ' ALA . . . -38.89 119.82 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 624' ' ' GLY . . . . . . . . . . . . . . . -95.97 -128.79 5.76 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.544 1.152 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 2.8 p -151.08 170.04 20.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 0.0 110.414 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 626' ' ' ILE . . . . . 0.639 ' CG1' ' CE1' ' A' ' 615' ' ' TYR . 0.1 OUTLIER -118.1 125.42 74.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.73 128.57 55.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.265 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.78 146.51 39.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.397 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 118.48 141.99 6.83 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . 0.465 ' HA ' ' CG2' ' A' ' 612' ' ' THR . . . -59.48 135.11 88.86 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.464 0.744 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . 0.425 ' O ' ' N ' ' A' ' 633' ' ' GLY . 18.2 Cg_endo -75.06 179.17 6.36 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.516 1.798 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.86 63.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 110.009 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 633' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 631' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.49 1.119 . . . . 0.0 111.032 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . -150.93 46.69 0.61 Allowed Glycine 0 CA--C 1.531 1.062 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 23.9 m -121.68 -42.35 2.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 0.782 . . . . 0.0 110.407 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 81.4 p -41.06 152.83 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.396 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 534' ' ' ASN . . . . . 0.491 ' HB3' ' CG2' ' A' ' 610' ' ' THR . 2.1 m-20 -108.72 169.85 8.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 580' ' ' ASP . 8.8 mttp -146.9 150.35 35.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . 0.414 ' CG1' ' O ' ' A' ' 609' ' ' SER . 0.2 OUTLIER -115.34 121.51 67.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 14.8 m -105.64 122.3 45.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.409 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 2.5 t -123.28 130.43 74.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 539' ' ' TYR . . . . . 0.463 ' CB ' ' HG3' ' A' ' 631' ' ' PRO . 2.1 m-85 -106.79 119.78 40.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 540' ' ' TYR . . . . . 0.581 ' CE2' ' HG3' ' A' ' 617' ' ' PRO . 42.4 t80 -109.41 138.91 45.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -92.01 119.08 31.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.17 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 542' ' ' LYS . . . . . 0.579 ' CG ' ' HA3' ' A' ' 543' ' ' GLY . 18.2 ttmt -82.26 137.77 34.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 543' ' ' GLY . . . . . 0.579 ' HA3' ' CG ' ' A' ' 542' ' ' LYS . . . 149.23 -123.93 1.71 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.539 1.149 . . . . 0.0 111.05 0.004 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -138.7 -87.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.743 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 545' ' ' ASN . . . . . 0.505 ' O ' ' CB ' ' A' ' 546' ' ' SER . 64.6 m-80 -144.54 26.31 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 546' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 545' ' ' ASN . 1.4 m 86.3 70.08 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.983 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 142.27 27.6 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.53 1.805 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -77.28 145.73 37.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . 0.586 HG12 ' CE2' ' A' ' 551' ' ' TYR . 0.6 OUTLIER -116.79 142.06 32.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 550' ' ' HIS . . . . . 0.52 ' CE1' ' HB2' ' A' ' 561' ' ' ALA . 3.4 t-160 -130.86 118.17 20.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.619 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 551' ' ' TYR . . . . . 0.586 ' CE2' HG12 ' A' ' 549' ' ' ILE . 0.3 OUTLIER -127.41 160.6 30.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.948 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 552' ' ' ARG . . . . . 0.553 ' CZ ' ' NE1' ' A' ' 558' ' ' TRP . 0.5 OUTLIER -138.86 140.89 28.62 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 553' ' ' PRO . . . . . 0.504 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.4 Cg_endo -74.97 143.49 29.21 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.523 1.802 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 586' ' ' GLN . . . -72.97 59.57 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 149.97 38.46 0.03 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -146.09 -94.24 0.15 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 557' ' ' SER . . . . . 0.504 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 47.3 t 178.62 -171.2 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.77 . . . . 0.0 109.983 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 558' ' ' TRP . . . . . 0.553 ' NE1' ' CZ ' ' A' ' 552' ' ' ARG . 86.7 m95 -93.22 120.57 33.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 107.993 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 559' ' ' THR . . . . . 0.492 ' O ' ' CE1' ' A' ' 550' ' ' HIS . 19.9 m -54.16 168.99 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.348 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 560' ' ' ALA . . . . . 0.426 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -64.51 107.61 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 561' ' ' ALA . . . . . 0.52 ' HB2' ' CE1' ' A' ' 550' ' ' HIS . . . -70.21 133.72 87.46 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 562' ' ' PRO . . . . . 0.508 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.2 Cg_endo -74.95 146.84 87.79 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 121.033 -2.486 . . . . 0.0 110.992 -0.074 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . 0.508 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -41.99 -101.66 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 564' ' ' VAL . . . . . 0.535 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.8 t -136.86 157.68 36.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.474 0.749 . . . . 0.0 109.292 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 566' ' ' MET . 0.0 OUTLIER -86.96 120.53 28.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 566' ' ' MET . . . . . 0.464 ' HG2' ' CG2' ' A' ' 549' ' ' ILE . 0.9 OUTLIER -35.53 124.72 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.983 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 576' ' ' LYS . 1.6 mt-30 -91.33 110.71 22.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -48.32 133.91 15.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.458 ' HB2' ' CE2' ' A' ' 539' ' ' TYR . . . -73.69 -145.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -124.16 11.32 8.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 571' ' ' ILE . . . . . . . . . . . . . 19.0 mt -82.19 -86.8 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 166.96 91.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.038 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 94.9 8.52 59.13 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.443 1.089 . . . . 0.0 110.953 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -103.61 157.88 16.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 110.965 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 575' ' ' ALA . . . . . . . . . . . . . . . -115.69 154.47 29.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 576' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 567' ' ' GLN . 1.0 OUTLIER -154.52 129.13 9.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 577' ' ' ILE . . . . . 0.56 ' O ' ' CD1' ' A' ' 577' ' ' ILE . 0.0 OUTLIER -126.37 145.54 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 578' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 3.7 m -127.11 130.56 50.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.386 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . 0.494 HG13 ' CD2' ' A' ' 587' ' ' LEU . 0.7 OUTLIER -130.63 132.05 64.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 580' ' ' ASP . . . . . 0.435 ' HA ' ' HA ' ' A' ' 535' ' ' LYS . 5.1 t70 -93.5 148.29 22.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 581' ' ' ILE . . . . . 0.508 ' CD1' ' O ' ' A' ' 584' ' ' ALA . 2.7 pt -128.41 -36.05 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.373 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . 0.529 ' O ' ' CB ' ' A' ' 583' ' ' SER . . . 39.39 48.85 2.94 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 583' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 582' ' ' GLY . 0.4 OUTLIER 156.93 -51.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 0.756 . . . . 0.0 109.992 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 584' ' ' ALA . . . . . 0.508 ' O ' ' CD1' ' A' ' 581' ' ' ILE . . . -65.19 146.09 55.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 71.3 m -112.72 1.18 15.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 110.023 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 586' ' ' GLN . . . . . 0.482 ' O ' ' CB ' ' A' ' 554' ' ' ALA . 19.6 mt-30 -151.3 137.84 18.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . 0.494 ' CD2' HG13 ' A' ' 579' ' ' VAL . 4.2 tt -137.68 132.99 33.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . 0.427 ' O ' ' CA ' ' A' ' 551' ' ' TYR . 1.7 pm0 -97.25 142.53 29.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 589' ' ' ALA . . . . . 0.525 ' CB ' ' HB3' ' A' ' 551' ' ' TYR . . . -139.42 139.74 37.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -123.78 161.41 25.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.276 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 591' ' ' PHE . . . . . 0.58 ' CZ ' ' CD2' ' A' ' 615' ' ' TYR . 7.9 m-85 -118.57 128.83 54.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -146.77 136.09 22.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . 0.404 ' C ' ' OD2' ' A' ' 593' ' ' ASP . 0.0 OUTLIER -67.92 -18.67 64.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.308 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 105.48 19.25 10.68 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.503 1.127 . . . . 0.0 110.966 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -126.34 29.32 5.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 0.736 . . . . 0.0 109.349 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 73.11 17.39 4.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -101.4 79.17 1.94 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 598' ' ' TRP . . . . . 0.411 ' CZ3' ' HB3' ' A' ' 550' ' ' HIS . 9.4 m95 -90.13 126.4 35.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 107.977 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -95.06 25.94 3.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 600' ' ' SER . . . . . 0.425 ' OG ' ' N ' ' A' ' 601' ' ' ASN . 95.5 p -58.63 -93.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.981 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 601' ' ' ASN . . . . . 0.439 ' O ' ' CB ' ' A' ' 602' ' ' ASN . 2.2 t-20 175.14 39.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.352 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 602' ' ' ASN . . . . . 0.528 ' O ' ' CG2' ' A' ' 603' ' ' THR . 31.8 t30 77.8 -54.81 0.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 603' ' ' THR . . . . . 0.528 ' CG2' ' O ' ' A' ' 602' ' ' ASN . 0.1 OUTLIER -176.31 43.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 110.385 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' A' ' 605' ' ' ASN . 0.0 OUTLIER -147.54 56.49 1.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 605' ' ' ASN . . . . . 0.418 ' O ' ' O ' ' A' ' 604' ' ' LYS . 5.3 m-80 -57.15 -161.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 606' ' ' TYR . . . . . 0.57 ' HB2' ' CE1' ' A' ' 608' ' ' PHE . 92.1 m-85 -127.84 137.76 52.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 4.3 mp -99.61 126.34 45.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 608' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 606' ' ' TYR . 0.4 OUTLIER -122.11 146.36 47.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 609' ' ' SER . . . . . 0.414 ' O ' ' CG1' ' A' ' 536' ' ' VAL . 20.9 t -102.51 166.24 10.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 610' ' ' THR . . . . . 0.491 ' CG2' ' HB3' ' A' ' 534' ' ' ASN . 57.3 p -54.97 162.9 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 110.41 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 120.51 -134.81 10.53 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 612' ' ' THR . . . . . 0.452 ' CG2' ' HA ' ' A' ' 630' ' ' ALA . 2.6 m -124.31 123.91 41.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 0.754 . . . . 0.0 110.403 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 11.5 m -139.03 157.72 45.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 614' ' ' THR . . . . . 0.468 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 30.3 m -133.58 125.26 28.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.365 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 615' ' ' TYR . . . . . 0.58 ' CD2' ' CZ ' ' A' ' 591' ' ' PHE . 0.1 OUTLIER -97.26 121.05 38.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 20.6 m -117.01 117.81 36.72 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.393 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . 0.581 ' HG3' ' CE2' ' A' ' 540' ' ' TYR . 18.2 Cg_endo -75.03 -161.82 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.448 1.762 . . . . 0.0 110.993 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . -139.31 -175.11 13.9 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.525 1.141 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.78 104.9 1.78 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 0.754 . . . . 0.0 110.042 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 620' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 621' ' ' GLY . 5.1 m-80 62.82 69.6 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 621' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 620' ' ' ASN . . . 37.46 51.82 1.8 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 622' ' ' ALA . . . . . 0.409 ' O ' ' CB ' ' A' ' 623' ' ' ALA . . . -114.0 103.48 11.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 0.756 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' A' ' 622' ' ' ALA . . . 77.1 174.85 0.2 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 624' ' ' GLY . . . . . . . . . . . . . . . -170.93 124.07 1.09 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.498 1.124 . . . . 0.0 110.95 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 67.5 p -126.28 150.59 48.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 0.749 . . . . 0.0 110.424 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 626' ' ' ILE . . . . . 0.468 ' HA ' ' O ' ' A' ' 614' ' ' THR . 0.1 OUTLIER -121.92 130.25 74.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.62 125.8 54.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.18 146.54 41.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.424 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 114.43 143.55 8.31 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.544 1.153 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . 0.452 ' HA ' ' CG2' ' A' ' 612' ' ' THR . . . -59.34 133.4 88.19 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.448 0.734 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . 0.463 ' HG3' ' CB ' ' A' ' 539' ' ' TYR . 18.3 Cg_endo -74.98 -179.94 5.48 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.489 1.784 . . . . 0.0 110.949 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.27 62.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.989 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 633' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 631' ' ' PRO . . . . . . . . 0 CA--C 1.531 1.053 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . -42.77 -89.81 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 48.5 p -97.54 135.57 39.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 110.372 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 47.9 m -154.28 -101.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.428 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -67.04 144.23 56.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -141.78 149.2 40.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . 0.495 ' CG1' ' O ' ' A' ' 609' ' ' SER . 1.6 t -115.56 128.23 72.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 16.0 m -102.13 127.39 49.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 1.8 t -126.79 129.96 71.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 539' ' ' TYR . . . . . 0.482 ' CD2' ' HG2' ' A' ' 631' ' ' PRO . 0.7 OUTLIER -111.17 116.53 31.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 540' ' ' TYR . . . . . 0.585 ' CE2' ' HG3' ' A' ' 617' ' ' PRO . 50.6 t80 -112.0 138.61 48.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.969 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -86.96 117.24 25.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 542' ' ' LYS . . . . . 0.475 ' HG3' ' CA ' ' A' ' 543' ' ' GLY . 1.1 ttpt -86.95 142.62 27.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 543' ' ' GLY . . . . . 0.475 ' CA ' ' HG3' ' A' ' 542' ' ' LYS . . . 145.02 -130.63 3.94 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 0.032 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . 0.493 ' CD1' ' N ' ' A' ' 544' ' ' PHE . 4.4 m-85 -121.36 -132.58 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 0.759 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -111.79 -56.27 2.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 546' ' ' SER . . . . . 0.43 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 6.9 p -135.58 63.37 53.57 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 109.998 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 547' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.3 Cg_endo -75.05 141.19 26.19 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.519 1.8 . . . . 0.0 111.005 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 548' ' ' TYR . . . . . 0.527 ' CZ ' ' HB2' ' A' ' 565' ' ' LYS . 7.9 m-85 -120.86 155.73 33.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . 0.631 ' CG1' ' CE2' ' A' ' 551' ' ' TYR . 0.2 OUTLIER -129.8 140.9 47.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -120.8 115.33 23.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.631 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 551' ' ' TYR . . . . . 0.631 ' CE2' ' CG1' ' A' ' 549' ' ' ILE . 0.1 OUTLIER -129.66 160.51 33.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 552' ' ' ARG . . . . . 0.59 ' HD3' ' CG ' ' A' ' 558' ' ' TRP . 0.6 OUTLIER -149.78 170.12 8.16 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.273 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 553' ' ' PRO . . . . . 0.565 ' O ' ' HG3' ' A' ' 552' ' ' ARG . 18.2 Cg_endo -75.08 155.76 42.56 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.543 1.812 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . 0.537 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -29.01 -86.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -124.11 94.27 0.48 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.464 1.102 . . . . 0.0 111.005 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -153.88 -86.86 0.06 OUTLIER Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 557' ' ' SER . . . . . 0.574 ' O ' ' HB2' ' A' ' 552' ' ' ARG . 14.4 t -150.34 -175.23 5.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 110.039 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 558' ' ' TRP . . . . . 0.59 ' CG ' ' HD3' ' A' ' 552' ' ' ARG . 66.5 m95 -119.33 140.59 50.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 108.006 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 10.0 m -66.55 172.32 4.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.434 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 560' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -71.08 107.22 4.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 561' ' ' ALA . . . . . 0.492 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -72.16 134.64 82.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 562' ' ' PRO . . . . . 0.519 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.1 Cg_endo -75.02 148.41 91.64 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 121.024 -2.49 . . . . 0.0 110.972 0.052 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . 0.519 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -44.46 -104.06 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 564' ' ' VAL . . . . . 0.507 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.0 OUTLIER -136.23 158.14 38.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . 0.527 ' HB2' ' CZ ' ' A' ' 548' ' ' TYR . 0.5 OUTLIER -85.21 117.95 24.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.307 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 566' ' ' MET . . . . . 0.462 ' CE ' ' HB3' ' A' ' 540' ' ' TYR . 3.5 mtp -36.63 136.21 0.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -100.65 115.79 31.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.293 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -46.17 134.91 8.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.453 ' HB2' ' CZ ' ' A' ' 539' ' ' TYR . . . -70.45 -143.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -126.02 6.73 7.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 571' ' ' ILE . . . . . 0.494 ' O ' ' CB ' ' A' ' 572' ' ' SER . 77.9 mt -80.97 -78.73 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 572' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 571' ' ' ILE . 0.5 OUTLIER 159.86 93.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.002 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 95.52 8.92 58.17 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.515 1.135 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -103.77 159.85 15.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 0.771 . . . . 0.0 110.997 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 575' ' ' ALA . . . . . . . . . . . . . . . -117.15 150.44 38.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 576' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -151.55 128.67 11.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 577' ' ' ILE . . . . . 0.558 ' C ' ' CD1' ' A' ' 577' ' ' ILE . 0.2 OUTLIER -131.33 152.23 36.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 578' ' ' THR . . . . . 0.435 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 35.8 m -127.44 140.27 52.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.463 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . 0.478 ' CG2' HD12 ' A' ' 577' ' ' ILE . 2.9 t -131.99 125.76 55.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 580' ' ' ASP . . . . . 0.51 ' O ' ' CG2' ' A' ' 581' ' ' ILE . 10.8 t0 -81.02 148.82 29.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 581' ' ' ILE . . . . . 0.51 ' CG2' ' O ' ' A' ' 580' ' ' ASP . 45.8 pt -156.79 50.78 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -52.69 -19.14 6.21 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 1.2 m -131.42 45.8 2.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.766 . . . . 0.0 109.969 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 584' ' ' ALA . . . . . 0.479 ' CB ' ' HB ' ' A' ' 581' ' ' ILE . . . -162.09 143.6 10.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.82 -2.12 16.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.963 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -149.0 138.58 21.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . 0.471 HD13 ' CG1' ' A' ' 579' ' ' VAL . 0.3 OUTLIER -138.11 137.9 38.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . 0.465 ' CG ' ' HG2' ' A' ' 552' ' ' ARG . 1.1 pm0 -100.91 142.48 32.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.261 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 589' ' ' ALA . . . . . 0.517 ' CB ' ' HB3' ' A' ' 551' ' ' TYR . . . -140.62 135.66 31.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.256 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -120.64 157.15 30.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 591' ' ' PHE . . . . . 0.548 ' CZ ' ' CG ' ' A' ' 615' ' ' TYR . 17.9 m-85 -119.16 127.1 53.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.975 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -141.93 161.25 38.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.353 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 21.9 p-10 -84.82 -31.06 24.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . -177.02 -50.13 0.06 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 169.15 72.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 0.741 . . . . 0.0 109.263 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 174.88 -35.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -113.37 87.22 2.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 71.2 m95 -100.48 131.77 46.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 107.984 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -116.99 64.74 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 600' ' ' SER . . . . . . . . . . . . . 1.3 m -104.72 -71.99 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.984 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 601' ' ' ASN . . . . . 0.403 ' C ' ' OD1' ' A' ' 601' ' ' ASN . 15.2 t-20 172.21 -49.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 3.2 t30 171.55 -70.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 603' ' ' THR . . . . . . . . . . . . . 3.4 t -157.13 22.05 0.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.339 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . 0.454 ' O ' ' C ' ' A' ' 605' ' ' ASN . 0.0 OUTLIER -120.13 -11.58 9.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 605' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 604' ' ' LYS . 0.4 OUTLIER 36.49 -153.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 606' ' ' TYR . . . . . 0.591 ' CB ' ' CZ ' ' A' ' 608' ' ' PHE . 80.6 m-85 -124.09 162.24 23.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 110.998 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . 0.523 ' CD1' ' N ' ' A' ' 607' ' ' LEU . 0.0 OUTLIER -124.19 124.11 41.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 608' ' ' PHE . . . . . 0.591 ' CZ ' ' CB ' ' A' ' 606' ' ' TYR . 13.5 m-85 -128.89 145.71 51.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.048 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 609' ' ' SER . . . . . 0.495 ' O ' ' CG1' ' A' ' 536' ' ' VAL . 38.3 t -111.27 160.06 17.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.002 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 610' ' ' THR . . . . . 0.479 HG23 ' CD1' ' A' ' 581' ' ' ILE . 63.3 p -46.63 167.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.361 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 114.1 -136.83 13.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.107 . . . . 0.0 110.954 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 612' ' ' THR . . . . . 0.457 ' CG2' ' HA ' ' A' ' 630' ' ' ALA . 32.0 m -129.92 129.75 44.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 0.743 . . . . 0.0 110.399 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 1.1 t -142.16 156.94 45.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 614' ' ' THR . . . . . 0.433 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 18.9 m -133.89 119.78 19.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 110.365 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 615' ' ' TYR . . . . . 0.548 ' CG ' ' CZ ' ' A' ' 591' ' ' PHE . 10.1 t80 -96.73 120.22 36.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 96.0 m -109.69 113.26 57.93 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.396 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . 0.585 ' HG3' ' CE2' ' A' ' 540' ' ' TYR . 18.3 Cg_endo -74.98 -178.15 3.96 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.456 1.766 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . -102.35 -154.45 25.33 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.99 -52.05 2.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 110.033 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 620' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -101.63 69.14 1.21 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.251 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . 37.11 52.54 1.61 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 622' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 623' ' ' ALA . . . -122.87 104.86 9.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 622' ' ' ALA . . . -39.54 144.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 624' ' ' GLY . . . . . . . . . . . . . . . -110.08 -118.65 3.99 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.483 1.114 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 4.6 p -151.08 168.48 24.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 0.764 . . . . 0.0 110.402 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 626' ' ' ILE . . . . . 0.433 ' HA ' ' O ' ' A' ' 614' ' ' THR . 0.1 OUTLIER -120.44 127.95 75.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 1.4 tpt85 -108.87 127.91 54.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.62 147.36 37.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.433 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 113.23 141.94 8.16 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.454 1.096 . . . . 0.0 110.972 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . 0.457 ' HA ' ' CG2' ' A' ' 612' ' ' THR . . . -59.9 126.04 82.26 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.462 0.743 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . 0.482 ' HG2' ' CD2' ' A' ' 539' ' ' TYR . 18.4 Cg_endo -74.94 155.11 43.19 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.493 1.786 . . . . 0.0 111.006 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 1.6 m -141.23 76.14 1.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.007 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 633' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 179.993 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 531' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 532' ' ' THR . . . 93.46 82.71 1.54 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 532' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 531' ' ' GLY . 2.4 m -36.89 134.5 0.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 0.743 . . . . 0.0 110.436 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 2.7 p -134.17 161.58 34.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.393 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 534' ' ' ASN . . . . . 0.444 ' HB3' ' CG2' ' A' ' 610' ' ' THR . 0.9 OUTLIER -105.84 172.59 6.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.268 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 11.0 mtmm -146.83 151.45 37.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . 0.473 ' CG2' HD11 ' A' ' 581' ' ' ILE . 0.2 OUTLIER -120.7 113.59 40.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 29.3 m -105.31 121.46 43.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.406 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . 0.585 ' CG1' ' CD1' ' A' ' 577' ' ' ILE . 7.3 p -127.15 141.26 46.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 539' ' ' TYR . . . . . 0.552 ' CE1' ' HB2' ' A' ' 576' ' ' LYS . 2.8 m-85 -107.98 129.94 55.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 540' ' ' TYR . . . . . 0.527 ' CD2' ' SD ' ' A' ' 566' ' ' MET . 4.7 t80 -113.2 140.06 48.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -90.8 113.31 25.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.361 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 542' ' ' LYS . . . . . 0.484 ' HG3' ' CA ' ' A' ' 543' ' ' GLY . 0.4 OUTLIER -81.24 140.53 34.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 543' ' ' GLY . . . . . 0.484 ' CA ' ' HG3' ' A' ' 542' ' ' LYS . . . 147.54 -136.5 6.09 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 111.043 -0.04 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -120.52 -119.82 0.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 0.0 111.0 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -124.47 -59.33 1.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 546' ' ' SER . . . . . 0.477 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 58.3 m -137.17 61.01 31.21 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.014 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 547' ' ' PRO . . . . . 0.477 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.1 Cg_endo -75.03 147.69 34.16 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 110.973 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -122.77 154.02 38.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . 0.582 HG12 ' CD2' ' A' ' 551' ' ' TYR . 0.7 OUTLIER -125.28 143.78 37.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 550' ' ' HIS . . . . . 0.513 ' CD2' ' HB1' ' A' ' 561' ' ' ALA . 0.8 OUTLIER -128.98 117.23 20.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.622 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 551' ' ' TYR . . . . . 0.582 ' CD2' HG12 ' A' ' 549' ' ' ILE . 0.2 OUTLIER -128.18 160.93 30.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 552' ' ' ARG . . . . . 0.557 ' NH2' ' HE2' ' A' ' 588' ' ' GLU . 0.0 OUTLIER -144.23 152.17 53.51 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 553' ' ' PRO . . . . . 0.498 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.4 Cg_endo -74.98 153.63 42.01 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.474 1.776 . . . . 0.0 111.031 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . 0.468 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -34.26 -70.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -126.06 87.36 0.35 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.467 1.105 . . . . 0.0 110.97 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -149.88 -92.5 0.1 OUTLIER Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 557' ' ' SER . . . . . 0.498 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 39.3 t -170.09 179.68 3.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 0.798 . . . . 0.0 109.974 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 558' ' ' TRP . . . . . 0.448 ' CD1' ' HD3' ' A' ' 552' ' ' ARG . 55.0 m95 -103.31 126.17 50.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 107.965 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 51.4 m -60.47 175.12 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.41 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 560' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -66.82 107.93 2.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 561' ' ' ALA . . . . . 0.513 ' HB1' ' CD2' ' A' ' 550' ' ' HIS . . . -72.42 133.7 82.85 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 562' ' ' PRO . . . . . 0.514 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.4 Cg_endo -74.98 146.06 85.62 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.984 -2.507 . . . . 0.0 111.025 -0.065 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . 0.514 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -37.53 -99.84 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 564' ' ' VAL . . . . . 0.534 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.6 t -137.7 157.54 33.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.547 0.792 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 566' ' ' MET . 12.1 tptm -87.22 108.01 18.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 566' ' ' MET . . . . . 0.527 ' SD ' ' CD2' ' A' ' 540' ' ' TYR . 0.2 OUTLIER -32.09 130.0 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 111.04 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -98.24 129.06 44.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.287 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.0 146.21 1.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.345 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.456 ' CB ' ' HB3' ' A' ' 576' ' ' LYS . . . -87.52 -147.83 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . 0.459 ' O ' ' CG ' ' A' ' 570' ' ' GLU . 1.4 tt0 -122.68 32.93 5.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 571' ' ' ILE . . . . . 0.498 ' O ' ' CB ' ' A' ' 572' ' ' SER . 4.2 mt -109.24 -78.17 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 572' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 571' ' ' ILE . 0.5 OUTLIER 160.15 98.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.014 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 86.73 7.6 78.15 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -103.79 160.17 15.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 0.775 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 575' ' ' ALA . . . . . . . . . . . . . . . -116.24 153.94 30.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 576' ' ' LYS . . . . . 0.552 ' HB2' ' CE1' ' A' ' 539' ' ' TYR . 0.0 OUTLIER -156.0 132.85 10.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 577' ' ' ILE . . . . . 0.585 ' CD1' ' CG1' ' A' ' 538' ' ' VAL . 0.0 OUTLIER -134.57 147.72 29.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 578' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 84.8 m -122.62 137.51 54.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.402 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . 0.481 ' CG2' HD13 ' A' ' 587' ' ' LEU . 0.8 OUTLIER -130.6 131.84 64.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 580' ' ' ASP . . . . . 0.451 ' O ' ' CG2' ' A' ' 581' ' ' ILE . 3.2 t0 -82.39 150.79 26.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 581' ' ' ILE . . . . . 0.493 ' CD1' HG21 ' A' ' 610' ' ' THR . 36.9 pt -154.76 58.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.232 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . 0.484 ' C ' ' O ' ' A' ' 581' ' ' ILE . . . -30.82 -79.21 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.47 1.107 . . . . 0.0 111.022 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.57 -32.44 28.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 0.781 . . . . 0.0 109.984 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 584' ' ' ALA . . . . . 0.488 ' CB ' ' HB ' ' A' ' 581' ' ' ILE . . . -60.13 133.16 55.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.01 -8.38 14.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 110.012 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.08 137.73 31.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . 0.525 ' CD2' ' HB2' ' A' ' 551' ' ' TYR . 3.8 tt -137.66 131.92 32.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . 0.557 ' HE2' ' NH2' ' A' ' 552' ' ' ARG . 2.0 pt-20 -97.39 142.81 28.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 589' ' ' ALA . . . . . 0.452 ' CB ' ' HB3' ' A' ' 551' ' ' TYR . . . -135.09 145.44 47.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . 0.464 ' HB3' ' CB ' ' A' ' 600' ' ' SER . . . -126.07 161.66 27.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 591' ' ' PHE . . . . . 0.564 ' CE2' ' HG3' ' A' ' 617' ' ' PRO . 0.8 OUTLIER -119.66 128.61 53.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 111.051 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 592' ' ' ASN . . . . . 0.418 ' CB ' ' CD2' ' A' ' 598' ' ' TRP . 6.8 p-10 -144.7 135.96 25.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . 0.413 ' OD1' ' ND2' ' A' ' 620' ' ' ASN . 4.2 m-20 -75.01 -12.39 60.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 78.39 10.86 85.87 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -121.47 56.76 1.04 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 0.778 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 59.82 28.86 18.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -131.05 95.26 3.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.254 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 598' ' ' TRP . . . . . 0.418 ' CD2' ' CB ' ' A' ' 592' ' ' ASN . 27.9 m95 -120.97 137.74 54.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 107.97 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -127.97 66.19 1.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 600' ' ' SER . . . . . 0.464 ' CB ' ' HB3' ' A' ' 590' ' ' ALA . 2.2 t -112.04 -29.72 7.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.973 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 601' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -94.76 59.37 2.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -106.64 -22.88 12.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 603' ' ' THR . . . . . 0.415 ' O ' ' OG1' ' A' ' 603' ' ' THR . 1.6 t 179.81 41.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.382 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' A' ' 605' ' ' ASN . 0.3 OUTLIER 72.72 45.57 0.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 605' ' ' ASN . . . . . 0.46 ' O ' ' O ' ' A' ' 604' ' ' LYS . 0.2 OUTLIER 43.61 -169.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.294 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 606' ' ' TYR . . . . . 0.607 ' HB2' ' CZ ' ' A' ' 608' ' ' PHE . 5.1 m-85 -130.69 136.02 48.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 11.4 mt -99.31 140.74 33.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 608' ' ' PHE . . . . . 0.607 ' CZ ' ' HB2' ' A' ' 606' ' ' TYR . 25.4 m-85 -131.28 146.59 52.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 4.1 t -111.96 155.35 23.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.96 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 610' ' ' THR . . . . . 0.493 HG21 ' CD1' ' A' ' 581' ' ' ILE . 22.9 p -38.34 154.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.366 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 122.54 -148.33 16.94 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 612' ' ' THR . . . . . 0.463 HG22 ' CB ' ' A' ' 630' ' ' ALA . 1.8 m -111.63 124.91 53.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 0.796 . . . . 0.0 110.408 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 613' ' ' SER . . . . . 0.409 ' HB3' ' CG2' ' A' ' 538' ' ' VAL . 0.5 OUTLIER -128.75 158.85 37.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.99 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 614' ' ' THR . . . . . 0.46 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 25.1 m -132.91 122.5 24.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.404 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 615' ' ' TYR . . . . . 0.464 ' CD1' ' CE1' ' A' ' 591' ' ' PHE . 0.2 OUTLIER -102.05 121.14 41.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 111.013 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 55.6 m -131.56 89.83 38.99 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.417 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . 0.564 ' HG3' ' CE2' ' A' ' 591' ' ' PHE . 18.3 Cg_endo -75.01 173.4 14.57 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.439 1.757 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . -88.57 -155.11 29.3 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.468 1.105 . . . . 0.0 111.032 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.2 48.07 1.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.757 . . . . 0.0 109.998 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 620' ' ' ASN . . . . . 0.413 ' ND2' ' OD1' ' A' ' 593' ' ' ASP . 3.8 m-20 62.76 134.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . 88.96 -25.1 10.4 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.499 1.124 . . . . 0.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 622' ' ' ALA . . . . . . . . . . . . . . . -123.01 104.68 9.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -46.87 167.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 624' ' ' GLY . . . . . . . . . . . . . . . -120.52 -137.35 5.35 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 7.0 p -151.83 162.85 40.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 0.787 . . . . 0.0 110.377 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 626' ' ' ILE . . . . . 0.46 ' HA ' ' O ' ' A' ' 614' ' ' THR . 0.1 OUTLIER -120.08 125.97 74.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.65 122.81 48.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.419 1.075 . . . . 0.0 110.286 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.24 150.31 37.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.376 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 108.53 141.26 9.49 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . 0.463 ' CB ' HG22 ' A' ' 612' ' ' THR . . . -59.6 115.92 14.52 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.465 0.744 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 163.94 34.31 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.519 1.799 . . . . 0.0 111.019 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.12 72.44 1.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.999 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 633' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.466 1.104 . . . . 0.0 111.046 -179.976 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 531' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 533' ' ' THR . . . 62.36 118.43 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 532' ' ' THR . . . . . 0.439 ' C ' ' OG1' ' A' ' 533' ' ' THR . 20.2 m 68.81 -62.7 0.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 110.37 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 533' ' ' THR . . . . . 0.468 ' HB ' ' CA ' ' A' ' 582' ' ' GLY . 1.0 OUTLIER 45.05 -172.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 110.412 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 534' ' ' ASN . . . . . 0.464 ' OD1' ' N ' ' A' ' 534' ' ' ASN . 0.4 OUTLIER -71.09 148.96 46.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . 0.47 ' HB3' ' CG2' ' A' ' 578' ' ' THR . 4.3 mtpt -142.32 147.46 36.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . 0.486 ' CG2' HD11 ' A' ' 581' ' ' ILE . 1.9 t -115.09 134.62 57.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 37.7 m -100.57 128.75 46.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.4 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 1.8 t -126.47 129.43 71.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 539' ' ' TYR . . . . . 0.491 ' CD2' ' HG2' ' A' ' 631' ' ' PRO . 0.3 OUTLIER -117.48 118.9 33.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.993 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 540' ' ' TYR . . . . . 0.45 ' CD1' ' N ' ' A' ' 541' ' ' LYS . 2.1 t80 -117.74 138.42 52.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 541' ' ' LYS . . . . . 0.45 ' N ' ' CD1' ' A' ' 540' ' ' TYR . 9.6 ttpt -93.55 114.62 27.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 542' ' ' LYS . . . . . 0.449 ' HG3' ' CA ' ' A' ' 543' ' ' GLY . 2.6 ttpt -84.19 142.6 30.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 543' ' ' GLY . . . . . 0.449 ' CA ' ' HG3' ' A' ' 542' ' ' LYS . . . 144.2 -130.13 3.87 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -0.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . 0.446 ' CD1' ' N ' ' A' ' 544' ' ' PHE . 7.5 m-85 -112.95 -119.13 0.3 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 0.755 . . . . 0.0 110.95 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -117.54 -52.45 2.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 546' ' ' SER . . . . . 0.446 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 65.3 p -162.31 62.72 1.37 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.986 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 547' ' ' PRO . . . . . 0.446 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.4 Cg_endo -75.05 158.72 41.86 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.485 1.782 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 548' ' ' TYR . . . . . 0.512 ' CD1' ' HB2' ' A' ' 562' ' ' PRO . 2.6 m-85 -111.22 162.36 15.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . 0.523 HG13 ' CZ ' ' A' ' 551' ' ' TYR . 0.2 OUTLIER -123.19 139.06 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 550' ' ' HIS . . . . . 0.605 ' CE1' ' O ' ' A' ' 559' ' ' THR . 3.4 t-160 -127.01 113.98 17.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.559 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 551' ' ' TYR . . . . . 0.523 ' CZ ' HG13 ' A' ' 549' ' ' ILE . 10.1 m-30 -113.76 164.71 13.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 552' ' ' ARG . . . . . 0.608 ' HB3' ' CZ3' ' A' ' 558' ' ' TRP . 0.0 OUTLIER -149.3 137.64 11.9 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 553' ' ' PRO . . . . . 0.555 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.2 Cg_endo -75.01 159.49 41.27 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.527 1.804 . . . . 0.0 110.982 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . 0.502 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -32.76 -70.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -134.79 83.85 0.28 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.544 1.153 . . . . 0.0 111.022 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -142.43 -90.23 0.14 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 557' ' ' SER . . . . . 0.555 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 18.1 t -161.69 -177.34 5.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.997 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 558' ' ' TRP . . . . . 0.608 ' CZ3' ' HB3' ' A' ' 552' ' ' ARG . 78.1 m95 -107.97 111.48 23.59 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 559' ' ' THR . . . . . 0.605 ' O ' ' CE1' ' A' ' 550' ' ' HIS . 32.5 p -32.74 143.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.426 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 560' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -55.41 106.93 0.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 561' ' ' ALA . . . . . 0.478 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -64.81 131.74 95.25 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 562' ' ' PRO . . . . . 0.512 ' HB2' ' CD1' ' A' ' 548' ' ' TYR . 18.5 Cg_endo -74.96 141.67 72.47 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.976 -2.51 . . . . 0.0 111.037 -0.076 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . 0.473 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -41.37 -98.49 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 1.5 t -135.15 156.49 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 109.309 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 566' ' ' MET . 0.0 OUTLIER -92.36 109.22 20.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.167 . . . . 0.0 109.329 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 566' ' ' MET . . . . . 0.451 ' CG ' ' CG2' ' A' ' 549' ' ' ILE . 0.0 OUTLIER -37.31 156.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 576' ' ' LYS . 0.3 OUTLIER -124.48 123.52 40.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.327 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.18 131.98 28.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -67.13 -145.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -119.81 8.15 11.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 571' ' ' ILE . . . . . 0.538 HG21 ' CD2' ' A' ' 574' ' ' TYR . 35.1 mt -85.64 -97.07 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 178.85 93.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.044 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 96.43 9.57 56.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . 0.538 ' CD2' HG21 ' A' ' 571' ' ' ILE . 14.4 m-85 -103.23 159.27 15.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 0.806 . . . . 0.0 110.995 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 575' ' ' ALA . . . . . . . . . . . . . . . -118.83 151.62 37.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 576' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 567' ' ' GLN . 0.0 OUTLIER -154.57 137.33 15.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 577' ' ' ILE . . . . . 0.575 ' C ' ' CD1' ' A' ' 577' ' ' ILE . 0.2 OUTLIER -146.4 152.51 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 578' ' ' THR . . . . . 0.525 ' N ' ' CD1' ' A' ' 577' ' ' ILE . 41.9 m -121.45 143.07 49.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.38 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 41.3 t -130.91 123.47 54.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 580' ' ' ASP . . . . . 0.446 ' O ' ' CG2' ' A' ' 581' ' ' ILE . 9.1 t0 -82.81 149.62 27.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 581' ' ' ILE . . . . . 0.493 ' CD1' HG23 ' A' ' 610' ' ' THR . 30.0 pt -154.98 56.83 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . 0.468 ' CA ' ' HB ' ' A' ' 533' ' ' THR . . . -55.24 -16.8 9.85 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.533 1.146 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.11 49.39 2.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 0.743 . . . . 0.0 110.026 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 584' ' ' ALA . . . . . 0.479 ' CB ' ' HB ' ' A' ' 581' ' ' ILE . . . -164.15 141.96 7.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.68 -3.55 13.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.04 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -147.44 138.03 23.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.339 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . 0.472 ' CD2' ' HB3' ' A' ' 551' ' ' TYR . 2.8 tt -146.75 126.28 13.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . 0.491 ' CB ' ' O ' ' A' ' 606' ' ' TYR . 1.3 pm0 -90.68 143.58 26.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 589' ' ' ALA . . . . . 0.488 ' CB ' ' CD1' ' A' ' 551' ' ' TYR . . . -127.29 134.84 49.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -121.21 160.88 22.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 591' ' ' PHE . . . . . 0.546 ' CE2' ' HG3' ' A' ' 617' ' ' PRO . 7.6 m-85 -115.99 129.23 56.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.1 . . . . 0.0 110.955 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 592' ' ' ASN . . . . . 0.406 ' O ' ' O ' ' A' ' 548' ' ' TYR . 2.7 p-10 -139.87 136.78 34.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -67.1 -31.59 72.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . 0.466 ' O ' ' CB ' ' A' ' 595' ' ' ASN . . . -177.58 -40.76 0.06 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.458 1.099 . . . . 0.0 111.065 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 595' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 594' ' ' GLY . 2.6 m-20 158.46 80.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 0.758 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 166.93 -39.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -114.13 106.49 14.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 18.2 m95 -111.46 123.94 51.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 108.034 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.97 55.11 0.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 600' ' ' SER . . . . . . . . . . . . . 23.4 m -93.66 -75.29 0.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.02 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 601' ' ' ASN . . . . . 0.426 ' O ' ' CB ' ' A' ' 602' ' ' ASN . 2.2 t30 168.5 39.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 602' ' ' ASN . . . . . 0.426 ' CB ' ' O ' ' A' ' 601' ' ' ASN . 0.2 OUTLIER 76.92 -54.1 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 603' ' ' THR . . . . . 0.529 ' O ' ' CB ' ' A' ' 604' ' ' LYS . 0.9 OUTLIER 178.18 100.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.392 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 603' ' ' THR . 10.0 tptt 161.29 -26.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 605' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 605' ' ' ASN . 0.3 OUTLIER 38.84 -156.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 606' ' ' TYR . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 608' ' ' PHE . 82.3 m-85 -128.31 164.22 23.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 13.5 mt -117.84 128.24 54.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 608' ' ' PHE . . . . . 0.557 ' CZ ' ' HB2' ' A' ' 606' ' ' TYR . 23.9 m-85 -133.05 145.71 51.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 609' ' ' SER . . . . . 0.417 ' O ' ' O ' ' A' ' 610' ' ' THR . 19.8 t -111.8 165.26 12.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 610' ' ' THR . . . . . 0.493 HG23 ' CD1' ' A' ' 581' ' ' ILE . 73.6 p -41.0 163.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.398 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 117.88 -136.64 12.56 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 612' ' ' THR . . . . . . . . . . . . . 2.7 m -129.32 135.8 49.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 110.366 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 94.6 p -142.37 157.87 44.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 110.007 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 614' ' ' THR . . . . . 0.44 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 4.1 m -134.18 114.95 13.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.16 . . . . 0.0 110.4 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 615' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -97.32 117.28 31.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 90.2 m -119.05 87.29 33.91 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.393 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . 0.546 ' HG3' ' CE2' ' A' ' 591' ' ' PHE . 18.3 Cg_endo -74.98 160.85 39.73 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.514 1.797 . . . . 0.0 111.034 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . -75.61 -155.17 5.14 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 49.2 m -136.7 45.21 2.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 0.777 . . . . 0.0 109.973 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 620' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 176.23 63.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . 37.6 49.14 1.81 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.511 1.132 . . . . 0.0 111.051 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 622' ' ' ALA . . . . . . . . . . . . . . . -122.98 104.53 9.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 0.753 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -45.47 118.33 1.72 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 624' ' ' GLY . . . . . . . . . . . . . . . -84.22 -128.78 1.68 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.128 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 12.8 p -151.57 158.54 43.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 0.757 . . . . 0.0 110.401 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 626' ' ' ILE . . . . . 0.44 ' HA ' ' O ' ' A' ' 614' ' ' THR . 0.2 OUTLIER -118.03 125.53 74.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.73 123.14 48.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.306 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.27 147.85 37.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 110.358 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 110.77 142.02 8.99 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -59.51 121.97 60.95 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.448 0.734 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . 0.491 ' HG2' ' CD2' ' A' ' 539' ' ' TYR . 18.3 Cg_endo -75.0 158.43 42.22 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.506 1.793 . . . . 0.0 111.02 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.46 73.75 1.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.045 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 633' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.122 . . . . 0.0 111.023 -179.966 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . -61.04 -66.7 2.51 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 532' ' ' THR . . . . . 0.464 ' OG1' ' N ' ' A' ' 533' ' ' THR . 68.1 p -107.68 -87.1 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 0.741 . . . . 0.0 110.405 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 533' ' ' THR . . . . . 0.464 ' N ' ' OG1' ' A' ' 532' ' ' THR . 1.3 m -167.79 -77.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.364 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 534' ' ' ASN . . . . . 0.435 ' O ' ' OD2' ' A' ' 580' ' ' ASP . 0.5 OUTLIER -67.16 144.98 55.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -142.27 146.04 34.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . 0.483 ' CG2' ' HB ' ' A' ' 579' ' ' VAL . 5.9 m -115.16 121.08 66.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 94.7 m -102.44 124.11 47.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.36 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 576' ' ' LYS . 14.2 t -125.2 138.09 55.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 539' ' ' TYR . . . . . 0.508 ' CE2' ' HB1' ' A' ' 569' ' ' ALA . 1.8 m-85 -116.93 121.73 42.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 540' ' ' TYR . . . . . 0.455 ' CE1' ' O ' ' A' ' 541' ' ' LYS . 2.6 t80 -118.51 139.76 50.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 111.021 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 541' ' ' LYS . . . . . 0.455 ' O ' ' CE1' ' A' ' 540' ' ' TYR . 0.2 OUTLIER -88.22 114.49 24.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 542' ' ' LYS . . . . . 0.484 ' HG3' ' CA ' ' A' ' 543' ' ' GLY . 2.6 ttpt -85.66 142.27 29.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 543' ' ' GLY . . . . . 0.484 ' CA ' ' HG3' ' A' ' 542' ' ' LYS . . . 146.62 -130.72 3.75 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.504 1.128 . . . . 0.0 111.028 0.022 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . 0.486 ' CD1' ' N ' ' A' ' 544' ' ' PHE . 5.5 m-85 -118.84 -128.44 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 0.778 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -114.64 -59.4 2.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 546' ' ' SER . . . . . 0.444 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 2.4 m -137.04 62.04 37.45 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.984 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 547' ' ' PRO . . . . . 0.444 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.3 Cg_endo -75.01 145.07 30.96 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.53 1.805 . . . . 0.0 111.043 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -119.34 146.64 45.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.981 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . 0.596 HG12 ' CD2' ' A' ' 551' ' ' TYR . 0.4 OUTLIER -116.85 143.53 26.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -128.62 118.17 22.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.607 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 551' ' ' TYR . . . . . 0.596 ' CD2' HG12 ' A' ' 549' ' ' ILE . 0.4 OUTLIER -130.25 160.66 33.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 111.015 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 552' ' ' ARG . . . . . 0.491 ' HG3' ' N ' ' A' ' 553' ' ' PRO . 0.3 OUTLIER -138.59 153.6 72.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.336 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 553' ' ' PRO . . . . . 0.565 ' O ' ' C ' ' A' ' 554' ' ' ALA . 18.2 Cg_endo -75.04 153.55 41.65 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.52 1.8 . . . . 0.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . 0.565 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -27.38 -74.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -129.9 84.41 0.32 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 111.022 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -141.99 -91.58 0.17 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 557' ' ' SER . . . . . 0.481 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 30.4 t -164.62 179.97 6.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 0.778 . . . . 0.0 110.009 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 558' ' ' TRP . . . . . 0.441 ' NE1' ' HD3' ' A' ' 552' ' ' ARG . 62.3 m95 -106.98 114.49 28.6 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 559' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 558' ' ' TRP . 21.5 m -46.66 173.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.375 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 560' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -72.08 107.86 4.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 561' ' ' ALA . . . . . 0.507 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -67.47 134.55 92.93 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 562' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 561' ' ' ALA . 18.4 Cg_endo -74.99 148.45 91.78 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.985 -2.506 . . . . 0.0 111.01 -0.022 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -43.23 -100.31 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.46 1.1 . . . . 0.0 111.031 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 564' ' ' VAL . . . . . 0.519 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.8 t -135.93 157.92 38.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.489 0.758 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 566' ' ' MET . 7.2 tptp -86.19 115.83 24.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 566' ' ' MET . . . . . 0.491 ' SD ' ' CG2' ' A' ' 577' ' ' ILE . 0.1 OUTLIER -33.85 149.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 568' ' ' ASP . 15.0 mm-40 -118.13 110.22 17.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 567' ' ' GLN . 0.1 OUTLIER -37.0 144.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.508 ' HB1' ' CE2' ' A' ' 539' ' ' TYR . . . -85.77 -150.19 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -120.26 10.1 11.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.317 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 571' ' ' ILE . . . . . 0.412 HD12 ' CB ' ' A' ' 632' ' ' SER . 36.9 mm -82.56 -88.25 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 170.92 94.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.026 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 89.93 9.79 65.49 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.451 1.094 . . . . 0.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -103.68 158.35 16.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 0.763 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 575' ' ' ALA . . . . . 0.424 ' CB ' ' SD ' ' A' ' 566' ' ' MET . . . -115.94 151.87 34.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 576' ' ' LYS . . . . . 0.446 ' CD ' ' HA ' ' A' ' 569' ' ' ALA . 12.1 ptmt -153.38 131.12 11.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 577' ' ' ILE . . . . . 0.607 ' C ' ' CD1' ' A' ' 577' ' ' ILE . 0.2 OUTLIER -128.63 150.41 34.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.247 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 578' ' ' THR . . . . . 0.482 ' N ' ' CD1' ' A' ' 577' ' ' ILE . 3.7 m -128.29 136.81 51.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.42 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . 0.579 HG22 ' CE1' ' A' ' 551' ' ' TYR . 97.5 t -130.93 127.84 61.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 580' ' ' ASP . . . . . 0.526 ' O ' ' CG2' ' A' ' 581' ' ' ILE . 0.2 OUTLIER -79.83 148.92 31.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 581' ' ' ILE . . . . . 0.526 ' CG2' ' O ' ' A' ' 580' ' ' ASP . 16.6 pt -158.33 64.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . 0.536 ' O ' ' CB ' ' A' ' 583' ' ' SER . . . -68.08 53.31 0.41 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.552 1.157 . . . . 0.0 111.049 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 583' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 582' ' ' GLY . 0.5 OUTLIER 155.36 43.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 0.729 . . . . 0.0 110.034 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 584' ' ' ALA . . . . . 0.426 ' CB ' ' HB ' ' A' ' 581' ' ' ILE . . . -153.49 143.05 21.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 34.5 p -113.62 2.0 15.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.037 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -153.04 138.46 17.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.271 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . 0.556 ' O ' ' CD1' ' A' ' 608' ' ' PHE . 4.2 tt -135.85 133.83 38.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . 0.451 ' OE1' ' ND2' ' A' ' 605' ' ' ASN . 38.3 tt0 -99.5 145.01 27.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.273 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 589' ' ' ALA . . . . . 0.42 ' HA ' ' HA ' ' A' ' 551' ' ' TYR . . . -142.21 144.51 33.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . 0.45 ' CB ' ' ND2' ' A' ' 605' ' ' ASN . . . -131.48 163.16 28.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 591' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -116.4 127.51 54.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 592' ' ' ASN . . . . . 0.483 ' HB3' ' CE3' ' A' ' 598' ' ' TRP . 7.3 p30 -144.32 135.76 25.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -60.22 -54.0 50.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . 0.483 ' O ' ' CB ' ' A' ' 595' ' ' ASN . . . 178.36 40.06 0.06 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.133 . . . . 0.0 110.973 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 595' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 594' ' ' GLY . 6.9 t-20 80.5 81.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 596' ' ' ASN . . . . . 0.423 ' CB ' ' O ' ' A' ' 595' ' ' ASN . 0.7 OUTLIER 162.13 -28.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.249 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -139.53 109.14 6.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 598' ' ' TRP . . . . . 0.483 ' CE3' ' HB3' ' A' ' 592' ' ' ASN . 19.9 m95 -116.76 134.82 54.33 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.64 20.07 18.52 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 600' ' ' SER . . . . . . . . . . . . . 14.3 p -74.57 57.65 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 109.994 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 601' ' ' ASN . . . . . 0.486 ' O ' ' CB ' ' A' ' 602' ' ' ASN . 43.7 t-20 46.28 27.97 0.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 602' ' ' ASN . . . . . 0.486 ' CB ' ' O ' ' A' ' 601' ' ' ASN . 18.9 t30 81.34 -52.26 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 603' ' ' THR . . . . . 0.479 ' CG2' ' O ' ' A' ' 603' ' ' THR . 6.1 t -174.51 50.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 110.389 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.81 58.43 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 605' ' ' ASN . . . . . 0.451 ' ND2' ' OE1' ' A' ' 588' ' ' GLU . 1.3 m-20 -52.18 -175.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 606' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -130.31 147.68 52.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.098 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 3.3 mp -103.2 130.19 50.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 608' ' ' PHE . . . . . 0.556 ' CD1' ' O ' ' A' ' 587' ' ' LEU . 0.0 OUTLIER -128.78 135.97 49.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 111.0 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.08 167.16 19.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 0.0 110.007 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 610' ' ' THR . . . . . 0.482 ' HA ' ' CG1' ' A' ' 536' ' ' VAL . 34.3 p -51.82 165.59 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.413 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 113.21 -142.32 17.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.504 1.127 . . . . 0.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 612' ' ' THR . . . . . 0.407 HG22 ' CB ' ' A' ' 630' ' ' ALA . 19.6 m -113.24 131.95 55.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.75 . . . . 0.0 110.45 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 14.6 m -142.27 157.05 45.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.001 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 614' ' ' THR . . . . . 0.527 ' O ' ' CG2' ' A' ' 626' ' ' ILE . 23.8 m -133.41 136.03 44.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 110.421 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 615' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -120.98 113.7 20.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 44.4 m -117.53 109.72 41.56 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.34 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.56 26.78 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.781 . . . . 0.0 111.003 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . -83.92 -157.37 25.26 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.131 . . . . 0.0 110.982 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 619' ' ' SER . . . . . 0.414 ' OG ' ' N ' ' A' ' 620' ' ' ASN . 0.9 OUTLIER -73.43 -59.45 2.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 110.003 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 620' ' ' ASN . . . . . 0.414 ' N ' ' OG ' ' A' ' 619' ' ' SER . 71.5 m-20 -165.56 130.62 2.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . 51.52 20.53 5.55 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 622' ' ' ALA . . . . . . . . . . . . . . . -122.97 104.62 9.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 0.738 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -41.4 148.44 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 624' ' ' GLY . . . . . . . . . . . . . . . -106.65 -136.45 8.29 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 10.2 p -151.05 163.84 37.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 0.743 . . . . 0.0 110.418 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 626' ' ' ILE . . . . . 0.527 ' CG2' ' O ' ' A' ' 614' ' ' THR . 0.1 OUTLIER -119.36 136.25 57.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.342 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -123.95 121.79 36.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.92 150.66 35.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.407 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 99.63 143.87 15.3 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.588 1.18 . . . . 0.0 110.966 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . 0.407 ' CB ' HG22 ' A' ' 612' ' ' THR . . . -59.03 117.33 20.53 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.473 0.749 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . 0.47 ' HG3' ' CG2' ' A' ' 614' ' ' THR . 18.3 Cg_endo -74.99 171.52 18.16 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.479 1.779 . . . . 0.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 632' ' ' SER . . . . . 0.412 ' CB ' HD12 ' A' ' 571' ' ' ILE . 12.4 m 51.06 20.68 0.87 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 110.006 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 633' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 531' ' ' GLY . . . . . 0.403 ' O ' ' OG1' ' A' ' 532' ' ' THR . . . -130.23 64.31 0.61 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 532' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 531' ' ' GLY . 2.6 m -164.28 157.3 17.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 0.772 . . . . 0.0 110.394 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 533' ' ' THR . . . . . 0.475 ' HA ' ' CA ' ' A' ' 582' ' ' GLY . 8.8 t -128.58 144.75 51.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.397 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 534' ' ' ASN . . . . . 0.453 ' HB3' ' CG2' ' A' ' 610' ' ' THR . 0.8 OUTLIER -110.5 178.01 4.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.328 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 8.5 mtmt -145.56 145.65 31.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . 0.496 ' CG2' ' HB ' ' A' ' 579' ' ' VAL . 0.3 OUTLIER -115.41 113.3 43.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 16.8 m -101.03 123.41 45.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.431 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 2.0 t -126.26 128.53 71.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 539' ' ' TYR . . . . . 0.547 ' CE1' ' HD2' ' A' ' 576' ' ' LYS . 3.5 m-85 -103.09 130.33 50.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 540' ' ' TYR . . . . . 0.612 ' CE1' ' O ' ' A' ' 541' ' ' LYS . 2.2 t80 -118.31 139.69 50.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 111.055 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 541' ' ' LYS . . . . . 0.612 ' O ' ' CE1' ' A' ' 540' ' ' TYR . 4.6 ttpt -91.25 123.75 34.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 542' ' ' LYS . . . . . 0.44 ' HG3' ' CA ' ' A' ' 543' ' ' GLY . 4.0 ttpt -80.41 138.4 36.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 543' ' ' GLY . . . . . 0.44 ' CA ' ' HG3' ' A' ' 542' ' ' LYS . . . 153.77 -128.43 2.4 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.117 . . . . 0.0 110.999 0.016 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -146.48 -88.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.744 . . . . 0.0 111.062 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 545' ' ' ASN . . . . . 0.512 ' O ' ' CB ' ' A' ' 546' ' ' SER . 18.6 m-80 -141.89 23.64 2.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.227 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 546' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 545' ' ' ASN . 1.9 t 87.19 72.87 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 158.21 42.07 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.553 1.817 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -95.41 144.52 25.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . 0.597 HG12 ' CD2' ' A' ' 551' ' ' TYR . 0.5 OUTLIER -116.56 142.88 28.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 550' ' ' HIS . . . . . 0.59 ' CD2' ' HB3' ' A' ' 561' ' ' ALA . 1.2 t60 -129.38 117.05 19.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.597 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 551' ' ' TYR . . . . . 0.597 ' CD2' HG12 ' A' ' 549' ' ' ILE . 0.5 OUTLIER -129.14 161.21 30.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 552' ' ' ARG . . . . . 0.475 ' CZ ' ' HA2' ' A' ' 555' ' ' GLY . 0.2 OUTLIER -142.19 153.0 62.72 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 553' ' ' PRO . . . . . 0.723 ' O ' ' C ' ' A' ' 554' ' ' ALA . 18.4 Cg_endo -74.99 135.47 19.14 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.464 1.771 . . . . 0.0 111.051 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . 0.723 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -0.11 81.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 553' ' ' PRO . . . 33.57 70.94 0.12 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 553' ' ' PRO . . . -125.62 -94.51 0.97 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 557' ' ' SER . . . . . 0.431 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 0.0 OUTLIER -113.75 139.14 49.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 0.0 110.032 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 558' ' ' TRP . . . . . 0.44 ' NE1' ' HD3' ' A' ' 552' ' ' ARG . 55.3 m95 -97.57 103.32 15.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 108.022 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 559' ' ' THR . . . . . 0.416 ' O ' ' O ' ' A' ' 558' ' ' TRP . 39.0 m -43.09 167.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 110.396 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -61.75 107.75 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 561' ' ' ALA . . . . . 0.59 ' HB3' ' CD2' ' A' ' 550' ' ' HIS . . . -70.05 133.32 87.94 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 562' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 561' ' ' ALA . 18.3 Cg_endo -74.98 144.62 81.54 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.039 -2.484 . . . . 0.0 110.982 -0.025 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . 0.487 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -38.2 -98.23 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 564' ' ' VAL . . . . . 0.509 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.6 t -136.88 157.71 36.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 0.751 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 566' ' ' MET . 0.0 OUTLIER -86.91 120.88 28.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 566' ' ' MET . . . . . 0.537 ' SD ' ' CG2' ' A' ' 577' ' ' ILE . 4.2 mmt -32.16 119.84 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . 0.451 ' O ' ' O ' ' A' ' 576' ' ' LYS . 0.2 OUTLIER -87.94 116.86 26.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -42.15 146.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -88.33 -147.45 0.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -125.91 7.79 7.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.306 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 571' ' ' ILE . . . . . . . . . . . . . 6.1 mm -80.09 -85.64 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 169.1 93.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.984 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 90.59 9.15 64.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.444 1.09 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.95 157.22 17.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 0.742 . . . . 0.0 111.001 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 575' ' ' ALA . . . . . 0.404 ' HB2' ' SD ' ' A' ' 566' ' ' MET . . . -118.11 155.24 30.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 576' ' ' LYS . . . . . 0.547 ' HD2' ' CE1' ' A' ' 539' ' ' TYR . 1.8 pttm -154.1 146.96 24.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 577' ' ' ILE . . . . . 0.556 ' O ' ' CD1' ' A' ' 577' ' ' ILE . 0.0 OUTLIER -134.82 147.73 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 578' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 3.7 m -127.16 130.98 50.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.422 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . 0.496 ' HB ' ' CG2' ' A' ' 536' ' ' VAL . 2.7 t -129.88 128.95 65.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 580' ' ' ASP . . . . . 0.401 ' HA ' ' O ' ' A' ' 534' ' ' ASN . 0.1 OUTLIER -79.24 141.29 37.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 581' ' ' ILE . . . . . 0.481 ' CD1' HG23 ' A' ' 610' ' ' THR . 42.4 pt -143.82 54.09 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . 0.494 ' O ' ' CB ' ' A' ' 583' ' ' SER . . . -68.14 58.87 0.4 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 583' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 582' ' ' GLY . 2.9 p 159.84 -24.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 110.019 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 584' ' ' ALA . . . . . . . . . . . . . . . -97.53 140.84 31.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.45 -3.69 25.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.01 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -151.22 138.31 19.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 1.1 tt -133.29 133.84 43.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . 0.426 ' HA ' ' O ' ' A' ' 606' ' ' TYR . 1.7 pm0 -94.57 142.71 27.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 589' ' ' ALA . . . . . 0.505 ' CB ' ' HB3' ' A' ' 551' ' ' TYR . . . -138.48 138.97 38.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 109.255 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . 0.463 ' CB ' ' HB3' ' A' ' 600' ' ' SER . . . -121.25 161.61 21.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.263 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 591' ' ' PHE . . . . . 0.756 ' CD1' ' CZ ' ' A' ' 615' ' ' TYR . 3.5 m-85 -121.97 129.46 52.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 592' ' ' ASN . . . . . 0.493 ' HB3' ' CE3' ' A' ' 598' ' ' TRP . 8.5 p30 -142.29 142.52 32.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -63.04 -30.45 71.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . 0.451 ' O ' ' ND2' ' A' ' 595' ' ' ASN . . . 169.08 -37.54 0.2 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 595' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 594' ' ' GLY . 1.1 m-80 159.89 79.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 6.5 t30 173.2 -35.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.346 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -127.08 88.56 2.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 598' ' ' TRP . . . . . 0.493 ' CE3' ' HB3' ' A' ' 592' ' ' ASN . 65.2 m95 -97.01 123.78 40.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 108.015 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -123.7 88.0 2.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 600' ' ' SER . . . . . 0.463 ' HB3' ' CB ' ' A' ' 590' ' ' ALA . 46.0 p -141.32 24.74 2.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.02 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 601' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 602' ' ' ASN . 0.4 OUTLIER 76.97 114.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 602' ' ' ASN . . . . . 0.446 ' O ' ' OG1' ' A' ' 603' ' ' THR . 43.9 m-80 -38.22 -37.47 0.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 603' ' ' THR . . . . . 0.478 ' O ' ' CB ' ' A' ' 604' ' ' LYS . 7.0 m -163.64 72.02 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.402 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . 0.478 ' CB ' ' O ' ' A' ' 603' ' ' THR . 0.0 OUTLIER 165.07 64.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -59.87 -159.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 606' ' ' TYR . . . . . 0.583 ' HB3' ' CE1' ' A' ' 608' ' ' PHE . 89.7 m-85 -121.62 130.14 53.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -100.62 124.78 46.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 608' ' ' PHE . . . . . 0.583 ' CE1' ' HB3' ' A' ' 606' ' ' TYR . 13.2 m-85 -122.44 148.67 44.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 609' ' ' SER . . . . . 0.402 ' C ' HG11 ' A' ' 536' ' ' VAL . 33.3 t -111.17 170.69 7.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.0 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 610' ' ' THR . . . . . 0.481 HG23 ' CD1' ' A' ' 581' ' ' ILE . 40.8 p -55.84 161.58 2.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 110.393 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 116.1 -132.81 10.42 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 612' ' ' THR . . . . . 0.456 ' CG2' ' HA ' ' A' ' 630' ' ' ALA . 24.4 m -128.34 130.29 47.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 0.784 . . . . 0.0 110.409 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 53.3 m -140.99 157.7 44.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.038 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 614' ' ' THR . . . . . 0.476 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 3.2 m -133.55 113.42 12.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.388 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 615' ' ' TYR . . . . . 0.756 ' CZ ' ' CD1' ' A' ' 591' ' ' PHE . 0.0 OUTLIER -97.34 114.15 25.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 75.7 m -118.5 111.11 38.29 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 0.0 110.418 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 174.05 13.43 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.481 1.779 . . . . 0.0 111.017 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . -107.2 -154.98 19.76 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 3.6 t -127.92 148.75 50.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 0.782 . . . . 0.0 109.974 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 620' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 62.0 64.73 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . 37.72 52.8 1.93 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 622' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 623' ' ' ALA . . . -123.01 104.51 9.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 0.788 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 622' ' ' ALA . . . -38.75 156.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 624' ' ' GLY . . . . . . . . . . . . . . . -113.85 -137.49 6.65 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 10.8 p -151.31 162.34 41.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 0.786 . . . . 0.0 110.424 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 626' ' ' ILE . . . . . 0.514 HG12 ' CE1' ' A' ' 608' ' ' PHE . 0.1 OUTLIER -119.97 125.19 74.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.263 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.51 123.56 49.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.93 148.91 37.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.376 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 105.58 142.17 11.0 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . 0.456 ' HA ' ' CG2' ' A' ' 612' ' ' THR . . . -59.84 121.14 55.89 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . 0.457 ' HG3' ' CG2' ' A' ' 614' ' ' THR . 18.5 Cg_endo -74.97 154.51 42.68 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.446 1.761 . . . . 0.0 111.046 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 80.8 p -138.14 76.02 1.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.983 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 633' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . -129.08 63.48 0.62 Allowed Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 532' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 533' ' ' THR . 2.7 p -148.85 -110.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 0.737 . . . . 0.0 110.397 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 533' ' ' THR . . . . . 0.469 ' CB ' ' HA2' ' A' ' 582' ' ' GLY . 71.8 p 34.22 -139.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.424 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 534' ' ' ASN . . . . . 0.48 ' HB2' ' CG1' ' A' ' 581' ' ' ILE . 0.0 OUTLIER -80.45 139.3 36.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 25.6 mtpt -143.24 152.22 41.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -115.26 126.03 72.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 93.6 m -107.11 125.66 51.36 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.135 . . . . 0.0 110.396 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 2.1 t -126.6 132.41 70.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 539' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -101.67 138.42 38.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 540' ' ' TYR . . . . . 0.739 ' CD1' ' CE2' ' A' ' 615' ' ' TYR . 14.6 t80 -127.01 139.36 53.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -89.67 113.46 24.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 542' ' ' LYS . . . . . 0.524 ' CE ' ' N ' ' A' ' 543' ' ' GLY . 0.0 OUTLIER -87.0 126.9 35.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.25 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 543' ' ' GLY . . . . . 0.524 ' N ' ' CE ' ' A' ' 542' ' ' LYS . . . 162.23 -126.51 1.57 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 0.0 111.037 -0.058 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -130.54 -46.7 1.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 0.776 . . . . 0.0 111.01 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 4.6 p30 177.21 -43.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 546' ' ' SER . . . . . 0.45 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 0.7 OUTLIER 179.94 62.19 0.11 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.024 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 547' ' ' PRO . . . . . 0.45 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.1 Cg_endo -75.02 146.9 33.13 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.494 1.786 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 548' ' ' TYR . . . . . 0.433 ' CE2' ' HB3' ' A' ' 565' ' ' LYS . 3.6 m-85 -105.33 162.09 13.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 111.051 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . 0.571 HG12 ' CE2' ' A' ' 551' ' ' TYR . 0.5 OUTLIER -126.82 142.27 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.343 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -130.9 116.2 17.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.563 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 551' ' ' TYR . . . . . 0.571 ' CE2' HG12 ' A' ' 549' ' ' ILE . 0.2 OUTLIER -120.03 160.41 22.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 552' ' ' ARG . . . . . 0.578 ' HD3' ' CD1' ' A' ' 558' ' ' TRP . 0.3 OUTLIER -138.71 132.61 16.35 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.284 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 553' ' ' PRO . . . . . 0.527 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.3 Cg_endo -75.02 158.62 42.03 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.524 1.802 . . . . 0.0 110.963 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -50.85 -22.81 2.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.26 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -55.93 -18.0 17.4 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . 0.416 ' C ' ' HD2' ' A' ' 552' ' ' ARG . . . 84.71 27.72 34.26 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 557' ' ' SER . . . . . 0.527 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 0.5 OUTLIER -104.13 150.6 24.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 0.779 . . . . 0.0 109.995 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 558' ' ' TRP . . . . . 0.578 ' CD1' ' HD3' ' A' ' 552' ' ' ARG . 86.0 m95 -124.09 99.35 6.2 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 52.8 m -44.75 169.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.422 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 560' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -57.41 108.81 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 561' ' ' ALA . . . . . 0.479 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -77.07 132.62 70.36 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.448 1.093 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 562' ' ' PRO . . . . . 0.522 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.3 Cg_endo -75.01 145.02 82.77 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.942 -2.524 . . . . 0.0 111.015 -0.057 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . 0.522 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -36.63 -99.31 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.44 1.088 . . . . 0.0 110.977 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 564' ' ' VAL . . . . . 0.551 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 2.8 t -137.97 159.68 33.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 566' ' ' MET . 0.0 OUTLIER -86.13 122.85 30.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.338 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 566' ' ' MET . . . . . 0.46 ' SD ' ' CG2' ' A' ' 549' ' ' ILE . 0.0 OUTLIER -34.21 128.42 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 111.02 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . 0.458 ' O ' ' O ' ' A' ' 576' ' ' LYS . 1.3 mm-40 -96.45 112.31 24.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 567' ' ' GLN . 0.2 OUTLIER -38.17 144.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -91.29 -143.5 0.18 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -129.43 9.78 5.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 571' ' ' ILE . . . . . 0.401 ' O ' ' CB ' ' A' ' 572' ' ' SER . 46.9 mm -79.31 -84.69 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 572' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 571' ' ' ILE . 0.3 OUTLIER 166.3 91.78 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.142 . . . . 0.0 110.01 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 91.77 6.93 65.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.551 1.157 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . 0.404 ' CE2' ' OG ' ' A' ' 632' ' ' SER . 0.2 OUTLIER -103.91 155.7 18.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 0.737 . . . . 0.0 110.995 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 575' ' ' ALA . . . . . . . . . . . . . . . -115.75 157.12 24.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 576' ' ' LYS . . . . . 0.458 ' O ' ' O ' ' A' ' 567' ' ' GLN . 6.3 ptmt -153.94 140.36 18.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 577' ' ' ILE . . . . . 0.564 ' O ' ' CD1' ' A' ' 577' ' ' ILE . 0.0 OUTLIER -132.25 147.68 32.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 578' ' ' THR . . . . . . . . . . . . . 68.8 m -123.05 135.43 54.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.418 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . 0.437 HG13 ' CD1' ' A' ' 587' ' ' LEU . 3.5 t -130.08 118.88 45.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 580' ' ' ASP . . . . . 0.477 ' HD2' ' N ' ' A' ' 582' ' ' GLY . 3.7 t0 -86.02 148.87 25.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 581' ' ' ILE . . . . . 0.502 ' CD1' ' O ' ' A' ' 584' ' ' ALA . 1.6 pt -128.07 -34.26 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . 0.477 ' N ' ' HD2' ' A' ' 580' ' ' ASP . . . 82.71 -53.49 4.84 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.433 1.083 . . . . 0.0 111.0 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 583' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 584' ' ' ALA . 0.4 OUTLIER -129.39 -46.99 1.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 110.021 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 584' ' ' ALA . . . . . 0.502 ' O ' ' CD1' ' A' ' 581' ' ' ILE . . . -37.67 140.1 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 89.1 p -113.39 5.81 16.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -146.48 138.62 24.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.261 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . 0.476 HD12 ' CG2' ' A' ' 581' ' ' ILE . 2.4 tt -149.11 134.85 18.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . 0.46 ' CB ' ' O ' ' A' ' 606' ' ' TYR . 2.6 pm0 -99.41 143.06 30.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 589' ' ' ALA . . . . . 0.408 ' HA ' ' HA ' ' A' ' 551' ' ' TYR . . . -131.7 134.07 45.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . 0.408 ' C ' ' CD1' ' A' ' 591' ' ' PHE . . . -118.85 159.47 23.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 591' ' ' PHE . . . . . 0.569 ' CE2' ' CD1' ' A' ' 615' ' ' TYR . 0.3 OUTLIER -119.15 127.64 53.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.972 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 592' ' ' ASN . . . . . 0.428 ' HB2' ' NE1' ' A' ' 598' ' ' TRP . 10.2 p-10 -147.43 137.52 23.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 -75.73 -29.33 58.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 106.15 46.55 1.15 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -162.66 -40.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 171.94 -29.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -59.58 88.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 598' ' ' TRP . . . . . 0.428 ' NE1' ' HB2' ' A' ' 592' ' ' ASN . 11.7 m95 -113.81 146.82 39.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 107.981 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -120.16 14.11 12.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 600' ' ' SER . . . . . . . . . . . . . 83.4 p -67.24 -87.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.979 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 601' ' ' ASN . . . . . . . . . . . . . 1.5 t30 169.98 -60.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 164.11 -38.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 603' ' ' THR . . . . . 0.496 ' CG2' ' O ' ' A' ' 603' ' ' THR . 1.3 t -176.42 36.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.4 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -155.31 58.97 0.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -58.8 -157.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 606' ' ' TYR . . . . . 0.46 ' O ' ' CB ' ' A' ' 588' ' ' GLU . 20.7 m-85 -105.1 162.02 13.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 3.8 mt -130.5 120.84 24.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 608' ' ' PHE . . . . . 0.435 ' CZ ' ' HB ' ' A' ' 626' ' ' ILE . 28.3 m-85 -141.44 157.31 45.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 8.6 t -110.78 164.05 13.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.045 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 610' ' ' THR . . . . . 0.429 ' CG2' HD12 ' A' ' 581' ' ' ILE . 57.1 p -39.15 158.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.382 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 129.47 -137.24 9.43 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.463 1.102 . . . . 0.0 111.046 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 612' ' ' THR . . . . . 0.418 HG21 ' N ' ' A' ' 630' ' ' ALA . 91.8 m -126.04 131.3 52.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.766 . . . . 0.0 110.421 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 3.9 p -142.25 157.8 44.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.04 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 614' ' ' THR . . . . . 0.482 ' CG2' ' HG3' ' A' ' 631' ' ' PRO . 12.1 m -134.66 114.36 12.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.42 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 615' ' ' TYR . . . . . 0.739 ' CE2' ' CD1' ' A' ' 540' ' ' TYR . 0.0 OUTLIER -99.69 114.63 27.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 111.022 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 85.7 m -117.58 109.73 41.45 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.415 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . 0.465 ' HD3' ' CE1' ' A' ' 615' ' ' TYR . 18.3 Cg_endo -75.04 -173.98 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.419 1.747 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . -98.7 -155.59 29.2 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.117 . . . . 0.0 110.98 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 21.3 p -101.38 -25.06 14.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 109.991 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 620' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -132.78 -145.23 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.257 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . -80.85 38.78 2.36 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.465 1.103 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 622' ' ' ALA . . . . . . . . . . . . . . . -112.07 103.43 11.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -40.69 144.02 0.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 624' ' ' GLY . . . . . . . . . . . . . . . -96.04 -138.71 9.95 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 12.6 p -152.01 161.01 43.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.783 . . . . 0.0 110.396 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 626' ' ' ILE . . . . . 0.446 ' HA ' ' O ' ' A' ' 614' ' ' THR . 0.1 OUTLIER -120.49 126.66 75.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -115.58 128.59 56.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.03 147.38 38.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 110.378 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 112.24 139.91 7.81 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . 0.418 ' N ' HG21 ' A' ' 612' ' ' THR . . . -61.31 119.82 49.63 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.486 0.757 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . 0.482 ' HG3' ' CG2' ' A' ' 614' ' ' THR . 18.3 Cg_endo -75.03 -177.18 3.3 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.483 1.78 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 632' ' ' SER . . . . . 0.404 ' OG ' ' CE2' ' A' ' 574' ' ' TYR . 12.6 m 40.21 28.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.021 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 633' ' ' GLY . . . . . 0.436 ' N ' ' C ' ' A' ' 631' ' ' PRO . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.449 1.093 . . . . 0.0 111.035 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . -74.12 101.97 1.29 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 11.3 p -148.72 175.15 11.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 0.785 . . . . 0.0 110.424 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 533' ' ' THR . . . . . 0.529 ' HA ' ' CA ' ' A' ' 582' ' ' GLY . 0.4 OUTLIER -131.98 109.78 10.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.391 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 534' ' ' ASN . . . . . 0.464 ' HB3' ' CG2' ' A' ' 610' ' ' THR . 1.4 m-20 -101.72 175.99 5.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -145.81 150.49 36.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 578' ' ' THR . 0.2 OUTLIER -118.78 120.39 63.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 22.9 m -102.58 121.99 43.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 110.414 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 1.7 t -127.07 131.56 70.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 539' ' ' TYR . . . . . 0.573 ' CD2' ' HG2' ' A' ' 631' ' ' PRO . 3.5 m-85 -106.31 128.44 53.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 540' ' ' TYR . . . . . 0.615 ' HB2' ' CD2' ' A' ' 615' ' ' TYR . 2.3 t80 -119.32 139.64 51.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 541' ' ' LYS . . . . . 0.43 ' N ' ' CD1' ' A' ' 540' ' ' TYR . 1.5 tttt -92.11 112.37 24.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 542' ' ' LYS . . . . . 0.482 ' HA ' ' HA3' ' A' ' 543' ' ' GLY . 0.0 OUTLIER -104.86 143.88 32.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 543' ' ' GLY . . . . . 0.482 ' HA3' ' HA ' ' A' ' 542' ' ' LYS . . . 137.37 -132.6 6.02 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.461 1.101 . . . . 0.0 110.97 0.029 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . 0.431 ' CZ ' ' OD2' ' A' ' 593' ' ' ASP . 30.7 m-85 -91.8 -168.25 1.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 110.979 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -95.29 6.03 50.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 12.1 p 171.46 65.24 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.98 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 144.81 30.57 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.526 1.803 . . . . 0.0 111.019 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -124.13 148.66 47.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.019 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . 0.576 HG12 ' CD2' ' A' ' 551' ' ' TYR . 1.2 tt -126.69 144.09 38.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 550' ' ' HIS . . . . . 0.488 ' CD2' ' HB2' ' A' ' 561' ' ' ALA . 0.8 OUTLIER -129.74 116.3 18.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.58 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 551' ' ' TYR . . . . . 0.576 ' CD2' HG12 ' A' ' 549' ' ' ILE . 0.3 OUTLIER -127.79 161.86 28.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.961 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 552' ' ' ARG . . . . . 0.559 ' HD2' ' CE2' ' A' ' 558' ' ' TRP . 0.6 OUTLIER -139.61 153.97 70.83 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.274 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 553' ' ' PRO . . . . . 0.707 ' O ' ' C ' ' A' ' 554' ' ' ALA . 18.3 Cg_endo -74.95 133.76 17.06 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.508 1.793 . . . . 0.0 111.007 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . 0.707 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . 3.56 76.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 553' ' ' PRO . . . 34.04 72.94 0.09 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 553' ' ' PRO . . . -128.06 -91.47 0.71 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 557' ' ' SER . . . . . 0.45 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 0.0 OUTLIER -114.69 138.26 50.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 0.787 . . . . 0.0 110.011 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 558' ' ' TRP . . . . . 0.559 ' CE2' ' HD2' ' A' ' 552' ' ' ARG . 43.6 m95 -91.02 105.88 18.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 107.973 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 559' ' ' THR . . . . . 0.415 ' O ' ' CE1' ' A' ' 550' ' ' HIS . 18.1 m -44.04 169.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.37 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 560' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -63.38 109.34 1.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 561' ' ' ALA . . . . . 0.499 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -74.5 133.86 76.82 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 562' ' ' PRO . . . . . 0.504 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.1 Cg_endo -75.0 147.25 88.82 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.995 -0.038 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . 0.504 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -41.75 -101.64 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.536 1.147 . . . . 0.0 111.022 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 564' ' ' VAL . . . . . 0.516 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.9 t -136.19 158.79 38.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.511 0.771 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 566' ' ' MET . 0.7 OUTLIER -88.01 116.31 26.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 566' ' ' MET . . . . . 0.513 ' SD ' ' CG2' ' A' ' 549' ' ' ILE . 0.0 OUTLIER -32.89 130.46 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 110.966 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 576' ' ' LYS . 4.0 mt-30 -93.14 117.9 30.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.356 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -46.39 134.07 9.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.547 ' HB2' ' CE2' ' A' ' 539' ' ' TYR . . . -76.31 -151.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -123.98 28.93 6.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 571' ' ' ILE . . . . . . . . . . . . . 4.4 mm -105.28 -84.92 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 168.67 105.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.997 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 79.86 9.7 86.46 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -105.21 157.66 17.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 575' ' ' ALA . . . . . 0.476 ' CB ' ' HG2' ' A' ' 566' ' ' MET . . . -120.59 157.93 28.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 576' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 567' ' ' GLN . 0.0 OUTLIER -156.03 145.1 20.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 577' ' ' ILE . . . . . 0.565 ' O ' ' CD1' ' A' ' 577' ' ' ILE . 0.0 OUTLIER -142.26 147.82 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 578' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 3.6 m -123.24 132.55 54.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.117 . . . . 0.0 110.374 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . . . . . . . . . 58.6 t -129.92 127.54 63.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 580' ' ' ASP . . . . . 0.43 ' O ' ' CG2' ' A' ' 581' ' ' ILE . 28.7 t70 -80.15 150.0 30.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 581' ' ' ILE . . . . . 0.471 ' CD1' HG22 ' A' ' 610' ' ' THR . 39.9 pt -153.99 51.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . 0.529 ' CA ' ' HA ' ' A' ' 533' ' ' THR . . . -54.4 -18.68 10.52 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.85 45.27 2.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 0.776 . . . . 0.0 109.974 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 584' ' ' ALA . . . . . . . . . . . . . . . -163.49 141.2 7.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 32.9 p -110.26 0.45 18.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 110.007 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -149.13 138.43 21.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . 0.446 ' CD1' ' O ' ' A' ' 552' ' ' ARG . 2.1 tp -137.1 130.95 31.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 606' ' ' TYR . 1.7 pm0 -97.76 142.3 29.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 589' ' ' ALA . . . . . 0.504 ' CB ' ' HB3' ' A' ' 551' ' ' TYR . . . -138.79 139.18 38.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . 0.427 ' C ' ' CD1' ' A' ' 591' ' ' PHE . . . -120.59 163.99 17.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 591' ' ' PHE . . . . . 0.809 ' CZ ' ' CD1' ' A' ' 615' ' ' TYR . 0.4 OUTLIER -123.57 127.81 48.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 592' ' ' ASN . . . . . 0.421 ' HB3' ' CD2' ' A' ' 598' ' ' TRP . 5.4 p30 -155.61 135.75 12.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . 0.431 ' OD2' ' CZ ' ' A' ' 544' ' ' PHE . 0.5 OUTLIER -71.61 -17.78 62.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 100.61 -9.86 58.95 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.52 1.137 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -94.94 41.28 1.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 0.776 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 29.8 m120 63.28 23.22 13.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -112.29 91.06 3.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 598' ' ' TRP . . . . . 0.421 ' CD2' ' HB3' ' A' ' 592' ' ' ASN . 19.6 m95 -104.19 152.52 22.06 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -135.44 38.46 2.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 600' ' ' SER . . . . . . . . . . . . . 46.3 p -81.01 -95.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.014 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 601' ' ' ASN . . . . . 0.475 ' O ' ' CB ' ' A' ' 602' ' ' ASN . 3.6 m-20 -173.15 34.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.418 1.074 . . . . 0.0 109.27 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 602' ' ' ASN . . . . . 0.475 ' CB ' ' O ' ' A' ' 601' ' ' ASN . 2.1 t30 79.85 -54.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 603' ' ' THR . . . . . . . . . . . . . 5.0 t -176.26 33.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.441 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . 0.453 ' O ' ' O ' ' A' ' 605' ' ' ASN . 0.0 OUTLIER -116.55 -33.09 5.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 605' ' ' ASN . . . . . 0.453 ' O ' ' O ' ' A' ' 604' ' ' LYS . 0.6 OUTLIER 40.15 -162.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 606' ' ' TYR . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 608' ' ' PHE . 34.3 m-85 -130.28 162.29 29.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.992 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 5.1 mp -115.95 124.33 50.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 608' ' ' PHE . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 606' ' ' TYR . 7.8 m-85 -122.53 147.13 46.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 42.5 t -111.4 164.62 12.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.998 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 610' ' ' THR . . . . . 0.471 HG22 ' CD1' ' A' ' 581' ' ' ILE . 32.4 p -48.38 157.84 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 110.333 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 117.67 -157.35 15.17 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.432 1.082 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 612' ' ' THR . . . . . . . . . . . . . 2.4 m -104.59 128.3 52.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 0.74 . . . . 0.0 110.38 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 67.7 p -142.62 157.94 44.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.979 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 614' ' ' THR . . . . . 0.448 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 2.3 m -133.51 113.0 11.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.417 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 615' ' ' TYR . . . . . 0.809 ' CD1' ' CZ ' ' A' ' 591' ' ' PHE . 0.0 OUTLIER -97.16 115.22 27.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 616' ' ' THR . . . . . 0.434 ' O ' ' HA3' ' A' ' 624' ' ' GLY . 89.5 m -116.7 110.72 41.98 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.359 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . 0.524 ' HD3' ' CE1' ' A' ' 615' ' ' TYR . 18.3 Cg_endo -75.03 -170.78 0.83 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.473 1.775 . . . . 0.0 110.986 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . -102.94 -152.5 23.85 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.485 1.115 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 61.4 p -123.17 -44.0 2.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 0.725 . . . . 0.0 110.004 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 620' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 621' ' ' GLY . 2.6 m-20 -105.98 68.36 0.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 621' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 620' ' ' ASN . . . 36.26 53.2 1.29 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 622' ' ' ALA . . . . . 0.467 ' O ' ' C ' ' A' ' 623' ' ' ALA . . . -122.9 108.1 12.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 0.767 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . 0.467 ' C ' ' O ' ' A' ' 622' ' ' ALA . . . -35.28 133.67 0.32 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 624' ' ' GLY . . . . . 0.434 ' HA3' ' O ' ' A' ' 616' ' ' THR . . . -95.47 -135.14 8.06 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.445 1.09 . . . . 0.0 111.042 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 9.4 p -151.71 164.77 36.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 0.754 . . . . 0.0 110.414 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 626' ' ' ILE . . . . . 0.482 HG12 ' CE1' ' A' ' 608' ' ' PHE . 0.1 OUTLIER -120.94 126.86 75.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -111.27 122.66 48.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.309 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.71 148.07 37.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.437 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 112.46 143.76 9.03 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.467 1.104 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -59.68 128.36 86.3 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . 0.573 ' HG2' ' CD2' ' A' ' 539' ' ' TYR . 18.5 Cg_endo -74.96 162.97 36.33 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.532 1.807 . . . . 0.0 111.018 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 80.5 p -153.34 76.28 1.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.997 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 633' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 -179.973 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . 117.94 161.41 11.97 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 16.8 m -116.27 155.95 27.48 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.543 0.79 . . . . 0.0 110.398 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 2.1 p -77.51 127.92 33.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 110.42 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -108.63 173.99 6.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . 0.452 ' HB3' ' CG2' ' A' ' 578' ' ' THR . 39.9 mtmt -145.38 160.9 40.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . 0.511 ' O ' ' HA ' ' A' ' 578' ' ' THR . 6.3 p -128.81 134.88 63.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 21.7 m -101.55 124.14 46.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.381 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . 0.45 ' HB ' ' CD1' ' A' ' 577' ' ' ILE . 1.4 t -126.98 127.12 69.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 539' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -111.83 125.79 54.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 540' ' ' TYR . . . . . 0.525 ' CE1' ' O ' ' A' ' 541' ' ' LYS . 5.4 t80 -107.68 140.55 40.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 111.009 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 541' ' ' LYS . . . . . 0.525 ' O ' ' CE1' ' A' ' 540' ' ' TYR . 12.3 tttt -96.11 134.03 39.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 542' ' ' LYS . . . . . 0.518 ' CG ' ' O ' ' A' ' 544' ' ' PHE . 21.3 ttmt -97.96 109.8 22.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 543' ' ' GLY . . . . . 0.489 ' HA3' ' O ' ' A' ' 541' ' ' LYS . . . 92.23 176.28 42.05 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 0.085 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . 0.518 ' O ' ' CG ' ' A' ' 542' ' ' LYS . 72.0 m-85 -50.24 -174.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 0.753 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 545' ' ' ASN . . . . . 0.463 ' H ' ' ND2' ' A' ' 545' ' ' ASN . 1.5 p30 -72.86 -56.15 5.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 78.5 p -177.76 76.61 0.23 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.043 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 141.74 26.98 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.503 1.791 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 548' ' ' TYR . . . . . 0.502 ' CZ ' ' HB2' ' A' ' 565' ' ' LYS . 7.7 m-85 -79.74 142.75 35.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . 0.7 ' CG1' ' CE2' ' A' ' 551' ' ' TYR . 0.0 OUTLIER -117.48 140.21 41.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.345 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -124.47 120.28 31.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.613 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 551' ' ' TYR . . . . . 0.7 ' CE2' ' CG1' ' A' ' 549' ' ' ILE . 0.1 OUTLIER -134.3 160.71 37.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 111.0 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 552' ' ' ARG . . . . . 0.523 ' HB3' ' CD2' ' A' ' 558' ' ' TRP . 0.0 OUTLIER -145.8 164.05 27.79 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 553' ' ' PRO . . . . . 0.477 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.5 Cg_endo -74.93 160.39 40.41 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.534 1.808 . . . . 0.0 111.014 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -35.56 -67.29 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -137.1 83.45 0.26 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.121 . . . . 0.0 110.947 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -142.61 -92.87 0.18 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 557' ' ' SER . . . . . 0.492 ' O ' ' HB2' ' A' ' 552' ' ' ARG . 37.6 t -162.53 169.25 20.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 0.745 . . . . 0.0 109.993 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 558' ' ' TRP . . . . . 0.523 ' CD2' ' HB3' ' A' ' 552' ' ' ARG . 76.0 m95 -100.05 143.64 30.02 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 93.0 m -71.22 175.45 5.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 560' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -68.1 108.01 2.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 561' ' ' ALA . . . . . 0.506 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -66.47 133.99 94.42 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 562' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 561' ' ' ALA . 18.4 Cg_endo -74.92 146.85 87.81 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 121.047 -2.48 . . . . 0.0 111.001 -0.11 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . 0.482 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -37.37 -97.83 0.01 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.454 1.096 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 564' ' ' VAL . . . . . 0.429 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.4 t -136.88 158.02 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.455 0.738 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . 0.502 ' HB2' ' CZ ' ' A' ' 548' ' ' TYR . 1.0 OUTLIER -94.89 111.65 23.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 566' ' ' MET . . . . . 0.516 ' SD ' ' CG2' ' A' ' 577' ' ' ILE . 0.1 OUTLIER -35.87 129.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . 0.444 ' O ' ' O ' ' A' ' 576' ' ' LYS . 0.0 OUTLIER -102.52 124.8 48.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.276 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.94 150.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -88.27 -139.63 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -131.73 5.81 4.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 571' ' ' ILE . . . . . . . . . . . . . 23.4 mt -81.27 -87.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 171.63 94.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.977 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 91.27 8.26 64.64 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -103.44 159.37 15.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.476 0.751 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 575' ' ' ALA . . . . . 0.461 ' CB ' ' HB3' ' A' ' 540' ' ' TYR . . . -116.3 154.89 29.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 576' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' A' ' 567' ' ' GLN . 8.0 ptmt -153.67 134.39 13.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.243 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 577' ' ' ILE . . . . . 0.537 ' O ' ' CD1' ' A' ' 577' ' ' ILE . 0.0 OUTLIER -144.07 147.33 19.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 578' ' ' THR . . . . . 0.511 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 99.5 m -118.72 139.24 51.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.349 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . 0.581 HG23 ' CE2' ' A' ' 551' ' ' TYR . 85.2 t -131.93 135.17 59.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 580' ' ' ASP . . . . . 0.41 ' HA ' ' HA ' ' A' ' 535' ' ' LYS . 6.1 t70 -92.31 148.34 22.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 581' ' ' ILE . . . . . 0.545 ' CD1' ' CG2' ' A' ' 610' ' ' THR . 1.1 pt -112.44 -21.41 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . 38.6 88.66 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 70.12 59.98 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 0.747 . . . . 0.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 584' ' ' ALA . . . . . 0.501 ' CB ' ' HB ' ' A' ' 581' ' ' ILE . . . -164.24 145.83 8.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.18 6.35 16.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.959 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -151.36 138.98 19.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.317 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . 0.455 ' HB2' ' CG2' ' A' ' 581' ' ' ILE . 0.0 OUTLIER -146.95 137.91 23.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . 0.425 ' HA ' ' O ' ' A' ' 606' ' ' TYR . 3.1 pm0 -93.26 143.76 25.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 0.0 110.34 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 589' ' ' ALA . . . . . 0.522 ' CB ' ' HB3' ' A' ' 551' ' ' TYR . . . -138.88 146.99 41.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -133.3 162.75 30.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 591' ' ' PHE . . . . . 0.808 ' CE1' ' CD1' ' A' ' 615' ' ' TYR . 1.0 OUTLIER -124.0 138.22 54.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 111.036 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 592' ' ' ASN . . . . . 0.589 ' OD1' ' CE3' ' A' ' 598' ' ' TRP . 0.9 OUTLIER -150.27 155.84 40.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 29.4 p-10 -82.72 -29.44 29.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . -172.6 -52.1 0.04 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 14.7 t30 168.96 69.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 176.63 -44.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -100.16 83.67 2.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 598' ' ' TRP . . . . . 0.589 ' CE3' ' OD1' ' A' ' 592' ' ' ASN . 33.4 m95 -93.7 127.61 39.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.559 1.162 . . . . 0.0 108.014 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -93.61 13.67 21.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 600' ' ' SER . . . . . . . . . . . . . 38.1 p -58.07 -96.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.953 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 601' ' ' ASN . . . . . 0.427 ' O ' ' CB ' ' A' ' 602' ' ' ASN . 0.9 OUTLIER 170.87 40.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.15 . . . . 0.0 109.338 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 602' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 601' ' ' ASN . 1.8 t-20 76.22 -55.02 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 603' ' ' THR . . . . . 0.518 ' CG2' ' O ' ' A' ' 603' ' ' THR . 5.4 t -175.2 51.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 110.423 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 605' ' ' ASN . 1.2 mmtm -154.66 61.27 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 605' ' ' ASN . . . . . 0.408 ' O ' ' O ' ' A' ' 604' ' ' LYS . 26.0 m-20 -55.54 -166.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 606' ' ' TYR . . . . . 0.59 ' HB2' ' CZ ' ' A' ' 608' ' ' PHE . 79.7 m-85 -124.42 163.22 22.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.56 1.163 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . 0.528 ' N ' ' CD2' ' A' ' 607' ' ' LEU . 0.1 OUTLIER -108.55 130.77 55.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 608' ' ' PHE . . . . . 0.59 ' CZ ' ' HB2' ' A' ' 606' ' ' TYR . 40.5 m-85 -128.58 144.51 51.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.147 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 43.5 t -112.83 169.59 8.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.113 . . . . 0.0 110.026 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 610' ' ' THR . . . . . 0.545 ' CG2' ' CD1' ' A' ' 581' ' ' ILE . 51.2 p -58.27 165.83 1.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.418 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 114.49 -126.45 7.28 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.519 1.137 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 612' ' ' THR . . . . . 0.459 HG22 ' CB ' ' A' ' 630' ' ' ALA . 1.5 m -126.78 134.37 50.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 0.785 . . . . 0.0 110.407 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.32 157.75 44.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.011 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 614' ' ' THR . . . . . 0.495 ' O ' ' CG2' ' A' ' 626' ' ' ILE . 84.8 m -132.64 131.36 41.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.436 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 615' ' ' TYR . . . . . 0.808 ' CD1' ' CE1' ' A' ' 591' ' ' PHE . 0.2 OUTLIER -109.51 116.45 31.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.082 . . . . 0.0 111.0 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 52.4 m -120.15 89.91 43.76 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 110.396 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . 0.577 ' HG3' ' CD2' ' A' ' 591' ' ' PHE . 18.4 Cg_endo -75.0 168.61 24.46 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.484 1.781 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . -82.06 -159.72 25.47 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.502 1.126 . . . . 0.0 111.044 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -123.57 -50.79 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 0.0 109.955 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 620' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -94.21 65.75 3.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . 40.06 51.05 3.49 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 622' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 623' ' ' ALA . . . -122.42 104.79 9.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 622' ' ' ALA . . . -38.62 130.64 1.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 624' ' ' GLY . . . . . . . . . . . . . . . -93.35 -134.74 7.15 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.476 1.11 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -152.26 170.52 19.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 0.777 . . . . 0.0 110.416 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 626' ' ' ILE . . . . . 0.495 ' CG2' ' O ' ' A' ' 614' ' ' THR . 0.1 OUTLIER -121.89 134.25 65.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.01 121.7 41.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.78 148.77 36.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.435 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 106.63 140.74 9.92 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . 0.459 ' CB ' HG22 ' A' ' 612' ' ' THR . . . -60.6 119.37 43.15 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.458 0.74 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 167.22 27.55 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.531 1.806 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -173.02 79.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.969 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 633' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.534 1.147 . . . . 0.0 111.018 179.98 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 531' ' ' GLY . . . . . 0.402 ' O ' ' OG1' ' A' ' 532' ' ' THR . . . 45.97 -169.8 0.03 OUTLIER Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 532' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 531' ' ' GLY . 26.5 m -157.5 145.85 19.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 110.354 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 66.3 p -139.71 155.89 47.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.375 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 534' ' ' ASN . . . . . 0.469 ' O ' ' HG3' ' A' ' 535' ' ' LYS . 1.9 m-20 -109.43 172.35 6.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 534' ' ' ASN . 5.1 mtpp -139.76 156.13 46.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . 0.481 ' CG2' ' HB ' ' A' ' 579' ' ' VAL . 2.6 m -125.04 119.24 55.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 3.9 m -101.25 122.78 44.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.394 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 1.4 t -127.06 128.63 70.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 0.0 109.338 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 539' ' ' TYR . . . . . 0.435 ' CE2' ' HB1' ' A' ' 569' ' ' ALA . 7.3 m-85 -104.8 131.06 52.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 540' ' ' TYR . . . . . 0.643 ' CD1' ' CE2' ' A' ' 591' ' ' PHE . 81.2 t80 -115.27 138.73 50.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -88.7 113.85 24.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 542' ' ' LYS . . . . . 0.429 ' HA ' ' HA3' ' A' ' 543' ' ' GLY . 7.4 ttpt -93.65 139.44 30.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 543' ' ' GLY . . . . . 0.429 ' HA3' ' HA ' ' A' ' 542' ' ' LYS . . . 155.83 -134.03 3.96 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.453 1.096 . . . . 0.0 110.997 0.04 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -118.48 -75.82 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.55 -50.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 546' ' ' SER . . . . . 0.44 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 0.4 OUTLIER -168.35 62.58 0.54 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.042 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 547' ' ' PRO . . . . . 0.44 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.3 Cg_endo -75.03 148.82 35.67 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.452 1.764 . . . . 0.0 110.949 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 548' ' ' TYR . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 565' ' ' LYS . 2.1 m-85 -104.03 160.91 14.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 111.003 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . 0.516 HG12 ' CD2' ' A' ' 551' ' ' TYR . 0.2 OUTLIER -128.8 142.74 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 550' ' ' HIS . . . . . 0.548 ' CD2' ' HB1' ' A' ' 561' ' ' ALA . 1.0 OUTLIER -124.09 116.43 22.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.557 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 551' ' ' TYR . . . . . 0.547 ' CE2' HD13 ' A' ' 577' ' ' ILE . 0.2 OUTLIER -126.47 160.77 29.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.933 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 552' ' ' ARG . . . . . 0.603 ' HD3' ' CD1' ' A' ' 558' ' ' TRP . 0.3 OUTLIER -145.02 151.06 47.81 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.248 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 553' ' ' PRO . . . . . 0.487 ' O ' ' C ' ' A' ' 554' ' ' ALA . 18.3 Cg_endo -75.0 154.04 42.19 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.479 1.778 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . 0.487 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -32.53 -73.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -124.23 86.28 0.37 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.537 1.148 . . . . 0.0 111.025 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -146.96 -91.05 0.1 OUTLIER Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 557' ' ' SER . . . . . 0.485 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 29.5 t -167.85 -178.86 3.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 0.0 109.979 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 558' ' ' TRP . . . . . 0.603 ' CD1' ' HD3' ' A' ' 552' ' ' ARG . 64.9 m95 -109.95 114.84 28.71 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 8.7 m -47.21 173.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.41 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 560' ' ' ALA . . . . . 0.428 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -71.61 107.51 4.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 561' ' ' ALA . . . . . 0.548 ' HB1' ' CD2' ' A' ' 550' ' ' HIS . . . -69.29 134.66 89.06 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 562' ' ' PRO . . . . . 0.521 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.2 Cg_endo -75.0 149.71 94.28 Favored 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 120.998 -2.501 . . . . 0.0 110.98 0.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . 0.521 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -44.8 -105.81 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.467 1.105 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 564' ' ' VAL . . . . . 0.497 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.2 t -136.83 158.17 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 0.759 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 548' ' ' TYR . 0.6 OUTLIER -82.99 117.93 23.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 566' ' ' MET . . . . . 0.486 ' HG2' ' CG2' ' A' ' 549' ' ' ILE . 0.7 OUTLIER -33.43 148.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 111.013 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . 0.462 ' O ' ' O ' ' A' ' 576' ' ' LYS . 0.6 OUTLIER -109.57 111.85 23.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 567' ' ' GLN . 0.0 OUTLIER -38.2 146.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.435 ' HB1' ' CE2' ' A' ' 539' ' ' TYR . . . -90.48 -145.69 0.18 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -130.29 6.01 4.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 571' ' ' ILE . . . . . 0.469 HG22 ' CB ' ' A' ' 632' ' ' SER . 80.7 mt -78.95 -81.14 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 167.49 99.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.013 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 82.06 8.93 85.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.52 1.137 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -104.56 154.59 19.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.773 . . . . 0.0 110.987 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 575' ' ' ALA . . . . . . . . . . . . . . . -115.8 156.52 25.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 576' ' ' LYS . . . . . 0.462 ' O ' ' O ' ' A' ' 567' ' ' GLN . 2.9 ptmt -152.85 146.87 25.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 577' ' ' ILE . . . . . 0.547 HD13 ' CE2' ' A' ' 551' ' ' TYR . 0.8 OUTLIER -137.54 151.62 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 578' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 3.9 m -128.73 128.74 44.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.429 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . 0.497 HG11 ' CD1' ' A' ' 587' ' ' LEU . 22.6 t -130.78 136.52 58.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 580' ' ' ASP . . . . . 0.492 ' O ' ' CG2' ' A' ' 581' ' ' ILE . 13.2 t70 -79.79 150.29 30.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 581' ' ' ILE . . . . . 0.493 ' HB ' ' CB ' ' A' ' 584' ' ' ALA . 34.7 pt -156.14 50.94 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 581' ' ' ILE . . . -32.7 -78.22 0.03 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.454 1.096 . . . . 0.0 110.971 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.81 -30.33 40.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 109.975 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 584' ' ' ALA . . . . . 0.493 ' CB ' ' HB ' ' A' ' 581' ' ' ILE . . . -60.94 136.57 58.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.256 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 80.7 p -115.46 -2.66 12.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.035 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -151.53 138.03 18.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.338 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . 0.497 ' CD1' HG11 ' A' ' 579' ' ' VAL . 6.0 tt -138.6 134.74 34.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 109.258 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . 0.453 ' HG3' ' CH2' ' A' ' 558' ' ' TRP . 0.9 OUTLIER -100.73 145.77 28.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 589' ' ' ALA . . . . . 0.497 ' CB ' ' HB3' ' A' ' 551' ' ' TYR . . . -140.09 141.02 36.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . 0.403 ' HB3' ' OD1' ' A' ' 605' ' ' ASN . . . -122.17 162.33 21.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 591' ' ' PHE . . . . . 0.802 ' CE1' ' CE1' ' A' ' 615' ' ' TYR . 12.9 m-85 -129.97 127.37 39.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -149.59 138.21 20.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . 0.426 ' CG ' ' CB ' ' A' ' 597' ' ' ASN . 42.8 p-10 -51.92 -32.53 33.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.078 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 114.47 8.37 16.68 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.487 1.117 . . . . 0.0 110.967 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 -124.27 -94.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -121.18 -1.04 9.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 597' ' ' ASN . . . . . 0.426 ' CB ' ' CG ' ' A' ' 593' ' ' ASP . 2.4 t30 -92.04 92.64 8.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 55.7 m95 -117.38 135.06 54.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 108.041 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -141.04 106.65 5.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 600' ' ' SER . . . . . 0.429 ' CB ' ' OD1' ' A' ' 605' ' ' ASN . 0.1 OUTLIER -161.28 -69.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.992 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 601' ' ' ASN . . . . . 0.471 ' O ' ' CB ' ' A' ' 602' ' ' ASN . 1.3 m-20 162.28 -28.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 602' ' ' ASN . . . . . 0.471 ' CB ' ' O ' ' A' ' 601' ' ' ASN . 1.2 m120 80.76 111.3 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 603' ' ' THR . . . . . 0.572 ' CG2' ' O ' ' A' ' 603' ' ' THR . 0.7 OUTLIER 48.52 34.77 5.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.417 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' A' ' 605' ' ' ASN . 0.0 OUTLIER -148.07 -63.95 0.26 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 605' ' ' ASN . . . . . 0.464 ' O ' ' O ' ' A' ' 604' ' ' LYS . 15.2 m-80 42.89 -168.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 606' ' ' TYR . . . . . 0.616 ' HB2' ' CZ ' ' A' ' 608' ' ' PHE . 96.9 m-85 -108.12 162.8 13.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 1.4 mp -115.03 120.23 39.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 608' ' ' PHE . . . . . 0.616 ' CZ ' ' HB2' ' A' ' 606' ' ' TYR . 9.0 m-85 -123.34 146.85 47.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 111.024 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 22.9 t -111.45 171.47 7.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.968 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 610' ' ' THR . . . . . 0.425 ' HA ' ' CG1' ' A' ' 536' ' ' VAL . 44.2 p -43.56 166.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.385 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 105.52 -164.68 14.02 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.513 1.133 . . . . 0.0 111.052 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 612' ' ' THR . . . . . . . . . . . . . 14.1 m -103.27 132.57 49.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.765 . . . . 0.0 110.383 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 14.5 m -139.38 157.23 46.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.991 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 614' ' ' THR . . . . . 0.484 ' CG2' ' HG3' ' A' ' 631' ' ' PRO . 7.0 m -133.69 114.72 13.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.408 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 615' ' ' TYR . . . . . 0.802 ' CE1' ' CE1' ' A' ' 591' ' ' PHE . 29.0 t80 -96.66 117.49 31.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 111.037 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 73.6 m -115.51 117.45 40.51 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.377 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . 0.45 ' HG3' ' CE1' ' A' ' 540' ' ' TYR . 18.2 Cg_endo -74.98 158.55 42.22 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.524 1.802 . . . . 0.0 110.972 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . -80.21 -155.71 11.47 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.481 1.113 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 619' ' ' SER . . . . . 0.428 ' O ' ' ND2' ' A' ' 620' ' ' ASN . 61.2 m -73.4 -57.17 4.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 0.0 109.978 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 620' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 619' ' ' SER . 47.9 m-80 -166.29 130.32 2.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . 45.72 25.26 1.45 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 622' ' ' ALA . . . . . . . . . . . . . . . -123.16 104.68 9.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 0.749 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -42.95 141.73 1.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 624' ' ' GLY . . . . . . . . . . . . . . . -104.15 -134.0 8.01 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.454 1.096 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 19.7 p -151.8 162.37 41.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 110.365 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 626' ' ' ILE . . . . . 0.471 ' HA ' ' O ' ' A' ' 614' ' ' THR . 0.2 OUTLIER -121.02 128.11 76.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.14 124.64 51.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.87 148.41 38.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.455 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 105.12 143.55 12.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -59.23 120.38 47.19 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.538 0.787 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . 0.484 ' HG3' ' CG2' ' A' ' 614' ' ' THR . 18.4 Cg_endo -74.98 162.1 37.72 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.484 1.781 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 632' ' ' SER . . . . . 0.469 ' CB ' HG22 ' A' ' 571' ' ' ILE . 0.1 OUTLIER 43.43 23.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.018 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 633' ' ' GLY . . . . . 0.459 ' N ' ' C ' ' A' ' 631' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.521 1.138 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 531' ' ' GLY . . . . . 0.439 ' O ' ' CB ' ' A' ' 532' ' ' THR . . . 115.12 -6.73 21.52 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 532' ' ' THR . . . . . 0.439 ' CB ' ' O ' ' A' ' 531' ' ' GLY . 2.5 m 79.21 -3.03 2.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 0.778 . . . . 0.0 110.365 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 39.6 p -98.67 158.72 15.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.414 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 534' ' ' ASN . . . . . 0.456 ' HB3' ' CG2' ' A' ' 610' ' ' THR . 1.3 m-20 -86.93 172.9 9.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -144.48 145.26 31.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 609' ' ' SER . 0.2 OUTLIER -114.6 121.63 67.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 11.2 m -101.44 123.32 45.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.404 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 2.1 t -125.3 131.44 72.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 539' ' ' TYR . . . . . 0.515 ' CE2' ' HB3' ' A' ' 569' ' ' ALA . 2.3 m-85 -107.11 118.98 38.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 540' ' ' TYR . . . . . 0.59 ' CD2' ' CZ ' ' A' ' 591' ' ' PHE . 42.6 t80 -113.08 139.11 48.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 7.0 ttpp -86.57 113.21 22.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 542' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -82.32 139.04 34.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 157.08 -131.32 2.89 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 0.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -122.35 -77.74 0.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 0.743 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -155.51 -51.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.244 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 546' ' ' SER . . . . . 0.436 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 2.2 m -169.94 62.9 0.45 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.026 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 547' ' ' PRO . . . . . 0.436 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.2 Cg_endo -74.93 159.06 42.05 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.501 1.79 . . . . 0.0 110.964 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 548' ' ' TYR . . . . . 0.565 ' CE1' ' HB2' ' A' ' 565' ' ' LYS . 2.1 m-85 -118.43 147.4 43.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 549' ' ' ILE . . . . . 0.615 HG12 ' CD2' ' A' ' 551' ' ' TYR . 0.3 OUTLIER -117.13 143.77 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.281 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 550' ' ' HIS . . . . . 0.422 ' CE1' ' O ' ' A' ' 559' ' ' THR . 0.8 OUTLIER -129.77 118.7 22.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.573 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 551' ' ' TYR . . . . . 0.615 ' CD2' HG12 ' A' ' 549' ' ' ILE . 0.5 OUTLIER -128.95 160.87 31.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 552' ' ' ARG . . . . . 0.568 ' HD3' ' CE2' ' A' ' 558' ' ' TRP . 6.8 ptt-85 -141.02 173.59 4.74 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 553' ' ' PRO . . . . . 0.602 ' O ' ' C ' ' A' ' 554' ' ' ALA . 18.4 Cg_endo -74.99 160.44 40.19 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.546 1.814 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 554' ' ' ALA . . . . . 0.602 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -22.52 -54.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 553' ' ' PRO . . . -174.08 80.07 0.08 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.128 . . . . 0.0 111.048 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -138.06 -95.29 0.35 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.53 146.51 47.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 0.766 . . . . 0.0 110.024 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 558' ' ' TRP . . . . . 0.568 ' CE2' ' HD3' ' A' ' 552' ' ' ARG . 22.3 m95 -86.64 120.48 28.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 108.02 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 559' ' ' THR . . . . . 0.422 ' O ' ' CE1' ' A' ' 550' ' ' HIS . 4.8 m -43.17 167.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.381 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 560' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -65.81 107.69 1.89 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 561' ' ' ALA . . . . . 0.488 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -75.64 134.0 73.06 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 562' ' ' PRO . . . . . 0.488 ' C ' ' HA ' ' A' ' 561' ' ' ALA . 18.3 Cg_endo -75.05 148.2 91.08 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 120.967 -2.514 . . . . 0.0 110.993 0.014 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . 0.486 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -45.81 -104.15 0.01 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 564' ' ' VAL . . . . . 0.542 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 2.0 t -135.88 157.92 38.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 0.772 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . 0.565 ' HB2' ' CE1' ' A' ' 548' ' ' TYR . 0.0 OUTLIER -90.29 117.7 29.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 566' ' ' MET . . . . . 0.477 ' CE ' ' CB ' ' A' ' 540' ' ' TYR . 3.6 mtp -36.27 127.44 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . 0.459 ' O ' ' O ' ' A' ' 576' ' ' LYS . 2.0 mt-30 -100.16 118.23 36.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 567' ' ' GLN . 0.2 OUTLIER -39.19 150.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.515 ' HB3' ' CE2' ' A' ' 539' ' ' TYR . . . -89.15 -146.02 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -126.57 6.37 6.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.266 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 571' ' ' ILE . . . . . . . . . . . . . 4.3 mm -81.39 -93.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.47 93.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.996 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 91.9 9.68 62.19 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -103.51 158.8 16.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 0.787 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 575' ' ' ALA . . . . . . . . . . . . . . . -117.16 154.88 30.31 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 576' ' ' LYS . . . . . 0.459 ' O ' ' O ' ' A' ' 567' ' ' GLN . 0.0 OUTLIER -150.85 132.49 14.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 577' ' ' ILE . . . . . 0.558 ' O ' ' CD1' ' A' ' 577' ' ' ILE . 0.0 OUTLIER -133.97 148.3 30.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 578' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 3.9 m -120.7 135.64 55.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.397 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 579' ' ' VAL . . . . . 0.556 ' CG1' ' CD1' ' A' ' 551' ' ' TYR . 4.8 t -128.96 122.71 57.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 580' ' ' ASP . . . . . 0.405 ' HA ' ' O ' ' A' ' 534' ' ' ASN . 0.0 OUTLIER -87.32 129.56 34.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 581' ' ' ILE . . . . . 0.479 ' CD1' ' O ' ' A' ' 584' ' ' ALA . 18.6 pt -107.11 -46.57 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . 0.537 ' O ' ' CB ' ' A' ' 583' ' ' SER . . . 49.51 92.47 0.01 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.462 1.101 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 583' ' ' SER . . . . . 0.537 ' CB ' ' O ' ' A' ' 582' ' ' GLY . 0.4 OUTLIER 88.52 41.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 109.968 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 584' ' ' ALA . . . . . 0.479 ' O ' ' CD1' ' A' ' 581' ' ' ILE . . . -154.41 145.52 22.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 78.7 p -113.66 0.5 14.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 109.976 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 586' ' ' GLN . . . . . 0.469 ' O ' ' CA ' ' A' ' 554' ' ' ALA . 91.3 mt-30 -151.48 138.95 19.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . 0.476 ' CD1' HG12 ' A' ' 579' ' ' VAL . 0.0 OUTLIER -141.21 142.83 33.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 0.0 109.258 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . 0.439 ' CD ' ' CB ' ' A' ' 605' ' ' ASN . 6.6 tt0 -92.14 146.98 23.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 589' ' ' ALA . . . . . 0.458 ' O ' ' ND2' ' A' ' 605' ' ' ASN . . . -142.85 138.69 30.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -128.29 162.84 26.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 591' ' ' PHE . . . . . 0.59 ' CZ ' ' CD2' ' A' ' 540' ' ' TYR . 1.3 m-85 -121.7 127.42 50.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 592' ' ' ASN . . . . . 0.518 ' HB3' ' CE3' ' A' ' 598' ' ' TRP . 11.2 p30 -142.95 136.04 28.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 593' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 597' ' ' ASN . 20.2 p-10 -61.0 -28.15 68.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 102.05 2.65 51.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 595' ' ' ASN . . . . . 0.443 ' O ' ' HB2' ' A' ' 596' ' ' ASN . 1.4 t-20 -111.64 -32.95 6.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 0.74 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 596' ' ' ASN . . . . . 0.443 ' HB2' ' O ' ' A' ' 595' ' ' ASN . 7.7 t-20 172.11 -37.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 597' ' ' ASN . . . . . 0.461 ' N ' ' OD1' ' A' ' 593' ' ' ASP . 15.6 t-20 -48.3 117.47 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 598' ' ' TRP . . . . . 0.518 ' CE3' ' HB3' ' A' ' 592' ' ' ASN . 57.0 m95 -122.28 131.37 53.88 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.27 159.84 37.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 600' ' ' SER . . . . . . . . . . . . . 20.1 m -166.92 -73.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.95 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 601' ' ' ASN . . . . . . . . . . . . . 6.8 t30 169.88 -63.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -142.98 -81.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 603' ' ' THR . . . . . . . . . . . . . 15.0 t -159.51 24.39 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.392 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 604' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 605' ' ' ASN . 0.0 OUTLIER -150.75 19.46 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 605' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 589' ' ' ALA . 4.8 t-20 36.46 -150.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 606' ' ' TYR . . . . . 0.52 ' CB ' ' CZ ' ' A' ' 608' ' ' PHE . 10.7 m-85 -124.17 154.15 40.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 6.4 mp -103.96 121.2 42.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 608' ' ' PHE . . . . . 0.52 ' CZ ' ' CB ' ' A' ' 606' ' ' TYR . 32.5 m-85 -122.16 142.72 50.11 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 110.958 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 609' ' ' SER . . . . . 0.5 ' O ' ' CG1' ' A' ' 536' ' ' VAL . 4.8 t -112.53 166.39 11.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.982 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 610' ' ' THR . . . . . 0.47 ' CG2' HD12 ' A' ' 581' ' ' ILE . 40.2 p -56.07 160.37 2.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.405 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 118.18 -126.87 7.05 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 612' ' ' THR . . . . . 0.457 HG22 ' CB ' ' A' ' 630' ' ' ALA . 2.5 m -128.4 134.71 48.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 0.78 . . . . 0.0 110.405 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 8.0 m -137.63 158.12 45.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 110.027 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 614' ' ' THR . . . . . 0.472 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 3.7 m -133.0 115.63 15.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.439 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 615' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -97.86 117.16 31.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 111.02 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 18.6 m -117.61 116.45 36.75 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.402 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . 0.588 ' HG3' ' CE2' ' A' ' 540' ' ' TYR . 18.3 Cg_endo -75.02 178.56 7.1 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.535 1.808 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . -119.56 -156.08 9.92 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 40.1 t -130.38 145.96 51.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 0.736 . . . . 0.0 110.006 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 620' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 60.67 62.08 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . 38.01 54.62 1.95 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.483 1.114 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 622' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 623' ' ' ALA . . . -123.11 104.97 9.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 623' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 622' ' ' ALA . . . -39.42 145.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 624' ' ' GLY . . . . . . . . . . . . . . . -102.12 -134.54 8.46 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 8.2 p -151.38 163.55 38.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 0.747 . . . . 0.0 110.399 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 626' ' ' ILE . . . . . 0.472 ' HA ' ' O ' ' A' ' 614' ' ' THR . 0.1 OUTLIER -121.16 127.84 75.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.82 123.77 51.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.22 149.12 37.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 110.338 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 107.99 139.88 9.14 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . 0.457 ' CB ' HG22 ' A' ' 612' ' ' THR . . . -60.07 120.84 54.31 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.555 0.797 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 160.74 39.72 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.523 1.802 . . . . 0.0 110.958 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 8.7 t -142.78 86.04 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.993 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 633' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.51 1.131 . . . . 0.0 110.959 179.963 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 534' ' ' ASN . . . . . 0.559 ' HB3' HG21 ' A' ' 610' ' ' THR . 1.2 m-20 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 19.7 mttt -144.59 151.46 39.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 536' ' ' VAL . . . . . 0.727 HG22 ' O ' ' A' ' 579' ' ' VAL . 0.4 OUTLIER -119.97 117.2 52.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.344 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 5.9 m -101.49 122.12 43.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.411 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 538' ' ' VAL . . . . . 0.489 HG12 ' HB2' ' A' ' 615' ' ' TYR . 3.0 t -126.67 132.78 69.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 539' ' ' TYR . . . . . 0.57 ' CD2' ' HG2' ' A' ' 631' ' ' PRO . 1.2 m-85 -107.16 122.87 47.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 111.044 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 540' ' ' TYR . . . . . 0.815 ' CD1' ' CZ ' ' A' ' 591' ' ' PHE . 41.1 t80 -108.52 139.33 43.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -91.99 114.87 27.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 542' ' ' LYS . . . . . 0.416 ' HG3' ' CA ' ' A' ' 543' ' ' GLY . 5.6 ttpt -80.41 138.67 36.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 543' ' ' GLY . . . . . 0.416 ' CA ' ' HG3' ' A' ' 542' ' ' LYS . . . 155.57 -130.29 2.74 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.544 1.152 . . . . 0.0 111.01 -0.018 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -130.53 -86.09 0.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 0.79 . . . . 0.0 110.979 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -147.42 -52.24 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 546' ' ' SER . . . . . 0.474 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 27.6 t -164.65 61.19 0.83 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 547' ' ' PRO . . . . . 0.474 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.4 Cg_endo -74.98 149.64 37.09 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.489 1.783 . . . . 0.0 111.033 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 548' ' ' TYR . . . . . 0.467 ' CE2' ' HB2' ' A' ' 565' ' ' LYS . 3.2 m-85 -110.38 151.85 26.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 111.038 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 549' ' ' ILE . . . . . 0.612 HG12 ' CD2' ' A' ' 551' ' ' TYR . 0.9 OUTLIER -117.61 143.01 29.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 550' ' ' HIS . . . . . 0.61 ' CE1' ' HB2' ' A' ' 561' ' ' ALA . 12.8 t-160 -128.64 117.18 20.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.622 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 551' ' ' TYR . . . . . 0.612 ' CD2' HG12 ' A' ' 549' ' ' ILE . 0.3 OUTLIER -132.64 161.87 32.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 552' ' ' ARG . . . . . 0.575 ' HG2' ' CH2' ' A' ' 558' ' ' TRP . 9.1 ptt180 -146.39 159.31 45.44 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.3 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 553' ' ' PRO . . . . . 0.715 ' O ' ' C ' ' A' ' 554' ' ' ALA . 18.3 Cg_endo -75.04 141.16 26.2 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.498 1.789 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 554' ' ' ALA . . . . . 0.715 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -4.51 83.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.419 1.075 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 555' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 553' ' ' PRO . . . 32.55 68.83 0.15 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.555 1.16 . . . . 0.0 111.045 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 556' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 553' ' ' PRO . . . -123.09 -92.41 1.06 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 557' ' ' SER . . . . . 0.421 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 0.0 OUTLIER -115.63 138.36 51.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 0.741 . . . . 0.0 109.988 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 558' ' ' TRP . . . . . 0.575 ' CH2' ' HG2' ' A' ' 552' ' ' ARG . 71.3 m95 -95.33 102.99 14.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 107.983 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 559' ' ' THR . . . . . 0.432 ' O ' ' O ' ' A' ' 558' ' ' TRP . 14.8 m -41.12 164.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.38 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 560' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -57.36 110.07 0.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 561' ' ' ALA . . . . . 0.61 ' HB2' ' CE1' ' A' ' 550' ' ' HIS . . . -74.23 132.97 78.53 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 562' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 561' ' ' ALA . 18.3 Cg_endo -74.95 144.46 81.05 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 121.022 -2.491 . . . . 0.0 111.013 -0.045 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 563' ' ' GLY . . . . . 0.478 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -38.78 -98.59 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.446 1.091 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 564' ' ' VAL . . . . . 0.531 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.8 t -136.52 158.33 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 0.784 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 565' ' ' LYS . . . . . 0.483 ' O ' ' C ' ' A' ' 566' ' ' MET . 0.1 OUTLIER -86.85 115.1 24.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 566' ' ' MET . . . . . 0.639 ' HE3' ' HB2' ' A' ' 540' ' ' TYR . 2.4 mmt -30.39 125.3 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 567' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 568' ' ' ASP . 6.8 mt-30 -90.19 111.99 23.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.249 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 568' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 567' ' ' GLN . 0.1 OUTLIER -36.83 145.22 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -79.35 -144.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -130.01 5.01 4.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.304 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 571' ' ' ILE . . . . . . . . . . . . . 43.6 mt -83.87 -86.68 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 171.53 95.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.043 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 95.34 8.25 58.8 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.547 1.155 . . . . 0.0 111.056 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -104.55 160.45 14.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 0.765 . . . . 0.0 110.96 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 575' ' ' ALA . . . . . 0.558 ' HB1' ' HB3' ' A' ' 566' ' ' MET . . . -121.69 155.88 34.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 576' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 567' ' ' GLN . 7.4 ptmt -155.22 145.84 22.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 577' ' ' ILE . . . . . 1.033 HD13 ' O ' ' A' ' 577' ' ' ILE . 0.0 OUTLIER -141.63 147.99 21.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 578' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 5.6 m -125.23 132.01 53.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.377 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 579' ' ' VAL . . . . . 0.727 ' O ' HG22 ' A' ' 536' ' ' VAL . 3.0 t -129.41 128.52 66.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 580' ' ' ASP . . . . . 0.439 ' HA ' ' O ' ' A' ' 534' ' ' ASN . 8.7 t70 -80.28 150.05 30.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 581' ' ' ILE . . . . . 0.892 HD11 HG23 ' A' ' 610' ' ' THR . 40.2 pt -149.77 57.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 582' ' ' GLY . . . . . 0.495 ' O ' ' CB ' ' A' ' 583' ' ' SER . . . -68.34 57.58 0.44 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.567 1.167 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 583' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 582' ' ' GLY . 0.6 OUTLIER 159.03 -25.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 0.792 . . . . 0.0 109.981 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 584' ' ' ALA . . . . . 0.694 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -96.58 140.55 31.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.79 -4.29 21.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.984 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 586' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' ' 608' ' ' PHE . 29.0 mt-30 -151.53 138.51 19.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.569 HD22 HG21 ' A' ' 536' ' ' VAL . 0.1 OUTLIER -135.39 142.01 45.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 588' ' ' GLU . . . . . 0.47 ' HA ' ' O ' ' A' ' 606' ' ' TYR . 3.3 pm0 -105.31 142.66 34.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.285 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 589' ' ' ALA . . . . . 0.561 ' CB ' ' HB3' ' A' ' 551' ' ' TYR . . . -135.25 146.55 48.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -125.81 163.75 22.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 591' ' ' PHE . . . . . 0.815 ' CZ ' ' CD1' ' A' ' 540' ' ' TYR . 0.8 OUTLIER -125.18 127.12 46.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 111.045 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -143.94 135.48 25.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 593' ' ' ASP . . . . . 0.461 ' N ' ' OD1' ' A' ' 593' ' ' ASP . 0.0 OUTLIER -68.9 -16.0 63.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 92.17 16.69 49.64 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.125 . . . . 0.0 110.995 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -141.24 67.66 1.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 0.771 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 4.4 m120 48.72 26.25 1.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -116.32 77.0 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 60.3 m95 -92.68 152.92 19.27 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 16.6 t0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 606' ' ' TYR . . . . . 0.614 ' HB2' ' CZ ' ' A' ' 608' ' ' PHE . 30.8 m-85 -109.72 162.6 14.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.966 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 6.6 mt -104.98 121.91 44.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 608' ' ' PHE . . . . . 0.614 ' CZ ' ' HB2' ' A' ' 606' ' ' TYR . 7.2 m-85 -117.48 144.43 45.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 15.6 t -112.53 166.89 10.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.032 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 610' ' ' THR . . . . . 0.892 HG23 HD11 ' A' ' 581' ' ' ILE . 34.1 p -53.62 162.47 0.84 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.403 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 113.73 -143.81 18.01 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 612' ' ' THR . . . . . 0.606 HG21 ' HB2' ' A' ' 630' ' ' ALA . 2.0 m -114.19 126.73 55.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 0.78 . . . . 0.0 110.399 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 17.9 m -139.49 158.29 44.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.044 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 614' ' ' THR . . . . . 0.504 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 6.6 m -133.12 122.47 24.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.414 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 615' ' ' TYR . . . . . 0.489 ' HB2' HG12 ' A' ' 538' ' ' VAL . 0.3 OUTLIER -97.57 122.12 40.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 111.007 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 54.9 m -131.52 126.7 21.28 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.377 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.523 1.802 . . . . 0.0 111.014 179.969 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 45.1 p . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 626' ' ' ILE . . . . . 0.565 HG12 ' CE1' ' A' ' 608' ' ' PHE . 0.1 OUTLIER -123.68 129.62 74.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.1 122.27 47.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.54 147.2 39.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.406 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 110.1 140.55 8.68 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.606 ' HB2' HG21 ' A' ' 612' ' ' THR . . . -59.84 118.52 32.84 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.492 0.76 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 631' ' ' PRO . . . . . 0.57 ' HG2' ' CD2' ' A' ' 539' ' ' TYR . 18.3 Cg_endo -75.06 156.9 42.75 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 27.0 p . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.416 1.073 . . . . 0.0 110.019 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 534' ' ' ASN . . . . . 0.791 ' HB3' HG21 ' A' ' 610' ' ' THR . 1.2 m-20 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 535' ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 579' ' ' VAL . 0.1 OUTLIER -145.64 154.74 42.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 536' ' ' VAL . . . . . 0.713 HG12 ' HA ' ' A' ' 610' ' ' THR . 32.7 m -121.43 113.32 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 21.0 m -103.28 121.34 42.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.356 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 538' ' ' VAL . . . . . 0.645 HG13 ' HB2' ' A' ' 613' ' ' SER . 2.2 t -126.65 130.84 71.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 539' ' ' TYR . . . . . 0.412 ' HA ' ' O ' ' A' ' 575' ' ' ALA . 2.6 m-85 -107.56 124.59 50.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 111.044 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 540' ' ' TYR . . . . . 0.598 ' CD2' ' SD ' ' A' ' 566' ' ' MET . 54.4 t80 -113.85 139.28 49.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 110.942 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 62.5 tttt -85.68 112.9 21.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 542' ' ' LYS . . . . . 0.416 ' HA ' ' HA3' ' A' ' 543' ' ' GLY . 1.8 ttpt -84.1 138.06 33.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 543' ' ' GLY . . . . . 0.416 ' HA3' ' HA ' ' A' ' 542' ' ' LYS . . . 156.84 -132.92 3.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.446 1.091 . . . . 0.0 110.977 0.048 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -120.29 -82.69 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -154.16 -48.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.246 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 546' ' ' SER . . . . . 0.479 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 33.3 p -164.36 61.04 0.85 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.012 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 547' ' ' PRO . . . . . 0.479 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.3 Cg_endo -74.98 147.61 34.27 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.482 1.78 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 548' ' ' TYR . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 565' ' ' LYS . 8.1 m-85 -113.68 156.07 24.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 549' ' ' ILE . . . . . 0.8 HD13 ' O ' ' A' ' 564' ' ' VAL . 0.2 OUTLIER -127.48 140.19 49.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 550' ' ' HIS . . . . . 0.523 ' CE1' ' HB2' ' A' ' 561' ' ' ALA . 10.7 t-160 -121.81 114.07 20.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.578 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 551' ' ' TYR . . . . . 0.701 ' HB2' HD21 ' A' ' 587' ' ' LEU . 0.2 OUTLIER -125.95 160.93 28.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 552' ' ' ARG . . . . . 0.52 ' NE ' ' NE1' ' A' ' 558' ' ' TRP . 0.0 OUTLIER -148.47 147.49 25.54 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.31 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 553' ' ' PRO . . . . . 0.481 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.4 Cg_endo -74.96 147.72 34.47 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.537 1.809 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 554' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 586' ' ' GLN . . . -78.1 63.58 3.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 142.96 39.45 0.07 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 556' ' ' GLY . . . . . 0.427 ' HA3' ' HG2' ' A' ' 553' ' ' PRO . . . -142.84 -93.37 0.19 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 557' ' ' SER . . . . . 0.481 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 48.4 t -178.41 -174.32 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 0.0 109.987 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 558' ' ' TRP . . . . . 0.52 ' NE1' ' NE ' ' A' ' 552' ' ' ARG . 56.7 m95 -100.55 134.92 42.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 108.009 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 559' ' ' THR . . . . . 0.557 HG22 ' H ' ' A' ' 560' ' ' ALA . 87.8 m -72.45 175.61 6.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.382 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 560' ' ' ALA . . . . . 0.557 ' H ' HG22 ' A' ' 559' ' ' THR . . . -67.89 107.24 2.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 561' ' ' ALA . . . . . 0.523 ' HB2' ' CE1' ' A' ' 550' ' ' HIS . . . -70.41 134.07 86.94 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 562' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 561' ' ' ALA . 18.3 Cg_endo -75.01 147.51 89.44 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 120.981 -2.508 . . . . 0.0 110.991 0.009 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 563' ' ' GLY . . . . . 0.491 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -39.66 -99.48 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 564' ' ' VAL . . . . . 0.8 ' O ' HD13 ' A' ' 549' ' ' ILE . 1.7 t -137.9 159.16 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.434 0.726 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 565' ' ' LYS . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 548' ' ' TYR . 9.8 tptm -87.74 113.72 23.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 566' ' ' MET . . . . . 0.744 ' HB3' ' HB1' ' A' ' 575' ' ' ALA . 3.0 mtp -31.75 119.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 567' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 576' ' ' LYS . 2.8 mm-40 -87.0 118.25 26.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 110.313 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 568' ' ' ASP . . . . . 0.416 ' HA ' ' O ' ' A' ' 574' ' ' TYR . 0.0 OUTLIER -50.27 133.14 24.23 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.505 ' HB2' ' HB3' ' A' ' 576' ' ' LYS . . . -71.51 -144.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -122.48 4.56 9.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 571' ' ' ILE . . . . . 0.522 ' O ' ' CB ' ' A' ' 572' ' ' SER . 2.2 mm -85.01 -22.92 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 572' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 571' ' ' ILE . 1.3 t 86.75 110.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 94.15 -6.15 72.14 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 574' ' ' TYR . . . . . 0.416 ' O ' ' HA ' ' A' ' 568' ' ' ASP . 0.2 OUTLIER -105.52 161.02 14.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 0.0 111.004 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 575' ' ' ALA . . . . . 0.744 ' HB1' ' HB3' ' A' ' 566' ' ' MET . . . -115.5 154.58 29.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 576' ' ' LYS . . . . . 0.505 ' HB3' ' HB2' ' A' ' 569' ' ' ALA . 1.2 ptmm? -154.52 133.98 12.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 577' ' ' ILE . . . . . 1.03 HD13 ' O ' ' A' ' 577' ' ' ILE . 0.0 OUTLIER -131.62 146.64 33.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 578' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 4.3 m -128.69 128.54 44.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.378 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 579' ' ' VAL . . . . . 0.516 ' HB ' HG22 ' A' ' 536' ' ' VAL . 1.8 t -128.94 127.91 66.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 580' ' ' ASP . . . . . 0.421 ' HA ' ' O ' ' A' ' 534' ' ' ASN . 6.0 t70 -81.85 150.51 27.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.133 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 581' ' ' ILE . . . . . 0.796 HD11 HG23 ' A' ' 610' ' ' THR . 35.6 pt -153.02 61.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 582' ' ' GLY . . . . . 0.554 ' O ' ' CB ' ' A' ' 583' ' ' SER . . . -68.55 52.17 0.47 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 583' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' A' ' 582' ' ' GLY . 1.4 m 154.65 41.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.779 . . . . 0.0 109.934 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 584' ' ' ALA . . . . . 0.763 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -162.08 143.48 10.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.343 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.36 2.1 15.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 586' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' A' ' 554' ' ' ALA . 54.8 mt-30 -146.47 139.11 25.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.701 HD21 ' HB2' ' A' ' 551' ' ' TYR . 6.9 tt -139.62 133.32 30.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.257 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 588' ' ' GLU . . . . . 0.589 ' O ' HD23 ' A' ' 587' ' ' LEU . 4.8 tt0 -90.15 145.73 24.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 589' ' ' ALA . . . . . 0.47 ' O ' ' ND2' ' A' ' 605' ' ' ASN . . . -143.3 135.78 27.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.801 ' HB2' ' OD1' ' A' ' 605' ' ' ASN . . . -123.17 157.7 32.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 591' ' ' PHE . . . . . 0.786 ' CE1' ' CD1' ' A' ' 615' ' ' TYR . 7.4 m-85 -123.87 127.58 48.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 111.03 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -150.19 136.03 18.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 593' ' ' ASP . . . . . 0.472 ' N ' ' OD2' ' A' ' 593' ' ' ASP . 0.5 OUTLIER -68.49 -16.21 63.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 90.61 22.45 33.96 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -131.56 39.25 3.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 0.745 . . . . 0.0 109.344 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 69.73 22.08 6.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -114.65 77.35 1.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -98.66 134.8 41.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 108.007 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.13 . . . . 0.0 109.254 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 605' ' ' ASN . . . . . 0.801 ' OD1' ' HB2' ' A' ' 590' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 606' ' ' TYR . . . . . 0.64 ' CD2' HD11 ' A' ' 626' ' ' ILE . 4.7 m-85 -119.44 132.18 55.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 607' ' ' LEU . . . . . 0.512 HD22 ' C ' ' A' ' 606' ' ' TYR . 2.6 mm? -107.65 120.47 42.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 608' ' ' PHE . . . . . 1.127 ' CE1' HD12 ' A' ' 626' ' ' ILE . 11.2 m-85 -132.69 159.29 40.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 111.031 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 2.7 t -105.04 174.11 6.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.985 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 610' ' ' THR . . . . . 0.796 HG23 HD11 ' A' ' 581' ' ' ILE . 76.6 p -53.75 176.13 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.388 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 113.12 -133.09 11.07 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 612' ' ' THR . . . . . 0.412 HG21 ' HB2' ' A' ' 630' ' ' ALA . 11.9 m -130.29 129.02 42.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.76 . . . . 0.0 110.417 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 613' ' ' SER . . . . . 0.645 ' HB2' HG13 ' A' ' 538' ' ' VAL . 0.7 OUTLIER -140.12 158.38 44.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.163 . . . . 0.0 109.974 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 614' ' ' THR . . . . . 0.483 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 58.6 m -134.16 125.04 27.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.452 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 615' ' ' TYR . . . . . 0.786 ' CD1' ' CE1' ' A' ' 591' ' ' PHE . 0.2 OUTLIER -97.82 123.34 41.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.971 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 17.6 m -112.54 123.77 33.31 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.351 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 617' ' ' PRO . . . . . 0.577 ' HG3' ' CE1' ' A' ' 540' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.531 1.806 . . . . 0.0 110.972 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 2.6 p . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 626' ' ' ILE . . . . . 1.127 HD12 ' CE1' ' A' ' 608' ' ' PHE . 0.6 OUTLIER -115.54 128.63 72.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.66 126.55 55.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 110.269 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.57 147.2 39.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.427 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 110.59 141.57 8.88 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.412 ' HB2' HG21 ' A' ' 612' ' ' THR . . . -59.37 121.85 59.54 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 163.99 34.19 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.51 1.795 . . . . 0.0 110.945 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 7.0 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.012 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 534' ' ' ASN . . . . . 0.418 ' O ' ' HA ' ' A' ' 580' ' ' ASP . 1.8 m-20 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 535' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 579' ' ' VAL . 17.6 mttt -147.27 156.72 43.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 536' ' ' VAL . . . . . 0.449 HG13 ' O ' ' A' ' 609' ' ' SER . 1.7 t -130.2 126.61 61.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 1.8 m -103.37 122.2 44.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 110.428 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 538' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 576' ' ' LYS . 0.3 OUTLIER -123.5 123.46 67.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 539' ' ' TYR . . . . . 0.494 ' CD2' ' HG2' ' A' ' 631' ' ' PRO . 0.8 OUTLIER -101.44 138.96 37.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 540' ' ' TYR . . . . . 0.629 ' HB2' ' HE2' ' A' ' 566' ' ' MET . 1.6 t80 -129.74 138.14 50.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 541' ' ' LYS . . . . . 0.473 ' O ' ' CE1' ' A' ' 540' ' ' TYR . 65.7 tttt -89.94 113.07 24.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 542' ' ' LYS . . . . . 0.504 ' HA ' ' HA3' ' A' ' 543' ' ' GLY . 3.1 ttpt -86.59 140.34 29.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 543' ' ' GLY . . . . . 0.504 ' HA3' ' HA ' ' A' ' 542' ' ' LYS . . . 147.78 -134.34 5.08 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 -0.017 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 544' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 544' ' ' PHE . 16.4 m-85 -119.02 -123.53 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -120.65 -46.57 2.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 546' ' ' SER . . . . . 0.451 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 17.8 t -145.28 62.35 8.78 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.037 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 547' ' ' PRO . . . . . 0.451 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.1 Cg_endo -75.08 146.14 32.02 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.533 1.807 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -123.62 154.66 38.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 549' ' ' ILE . . . . . 0.644 HG21 ' SD ' ' A' ' 566' ' ' MET . 0.2 OUTLIER -127.18 142.73 42.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 550' ' ' HIS . . . . . 0.647 ' CE1' ' HB2' ' A' ' 561' ' ' ALA . 11.0 t-160 -125.36 117.2 23.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.634 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 551' ' ' TYR . . . . . 0.892 ' CE2' HD13 ' A' ' 577' ' ' ILE . 0.3 OUTLIER -127.37 161.21 29.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.965 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 552' ' ' ARG . . . . . 0.508 ' HG3' ' N ' ' A' ' 553' ' ' PRO . 0.0 OUTLIER -143.05 152.49 58.49 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.262 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 553' ' ' PRO . . . . . 0.52 ' O ' ' C ' ' A' ' 554' ' ' ALA . 18.2 Cg_endo -75.0 153.13 41.52 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.516 1.798 . . . . 0.0 111.033 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 554' ' ' ALA . . . . . 0.635 ' HB2' ' O ' ' A' ' 586' ' ' GLN . . . -30.06 -74.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -126.29 86.1 0.34 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.144 . . . . 0.0 111.036 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -145.67 -91.4 0.11 Allowed Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 557' ' ' SER . . . . . 0.493 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 28.9 t -165.6 -179.63 5.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 0.732 . . . . 0.0 109.997 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 558' ' ' TRP . . . . . 0.449 ' CD1' ' HD3' ' A' ' 552' ' ' ARG . 63.3 m95 -107.2 112.41 25.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 107.992 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 559' ' ' THR . . . . . 0.415 HG22 ' H ' ' A' ' 560' ' ' ALA . 8.9 m -45.31 171.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.387 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 560' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -68.06 107.62 2.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 561' ' ' ALA . . . . . 0.647 ' HB2' ' CE1' ' A' ' 550' ' ' HIS . . . -71.21 134.25 85.17 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 562' ' ' PRO . . . . . 0.519 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.4 Cg_endo -75.0 148.16 91.05 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.014 -0.034 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 563' ' ' GLY . . . . . 0.519 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -43.36 -104.07 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 564' ' ' VAL . . . . . 0.494 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.5 t -137.07 158.66 36.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.785 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 565' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 566' ' ' MET . 13.2 tmtt? -82.53 120.65 25.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 566' ' ' MET . . . . . 0.644 ' SD ' HG21 ' A' ' 549' ' ' ILE . 0.0 OUTLIER -35.78 131.25 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 567' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 568' ' ' ASP . 0.6 OUTLIER -91.44 110.23 21.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.173 . . . . 0.0 110.313 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 568' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 567' ' ' GLN . 0.0 OUTLIER -37.2 146.23 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -79.78 -142.04 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -131.07 7.01 4.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 571' ' ' ILE . . . . . 0.418 HG22 ' N ' ' A' ' 572' ' ' SER . 4.5 mt -89.08 -92.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 572' ' ' SER . . . . . 0.418 ' N ' HG22 ' A' ' 571' ' ' ILE . 0.2 OUTLIER 174.62 99.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.999 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 95.65 5.3 60.15 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.491 1.119 . . . . 0.0 111.041 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -104.59 159.25 15.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 110.985 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 575' ' ' ALA . . . . . 0.609 ' HB1' ' HG2' ' A' ' 566' ' ' MET . . . -123.54 156.49 35.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 576' ' ' LYS . . . . . 0.426 ' O ' ' O ' ' A' ' 567' ' ' GLN . 0.0 OUTLIER -154.05 156.17 36.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 577' ' ' ILE . . . . . 0.892 HD13 ' CE2' ' A' ' 551' ' ' TYR . 0.9 OUTLIER -143.45 151.31 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.266 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 578' ' ' THR . . . . . . . . . . . . . 3.9 m -129.06 125.62 37.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.367 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 579' ' ' VAL . . . . . 0.529 HG11 ' CD1' ' A' ' 587' ' ' LEU . 94.8 t -130.36 135.89 59.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 580' ' ' ASP . . . . . 0.501 ' O ' ' CG2' ' A' ' 581' ' ' ILE . 6.5 t70 -84.91 150.13 25.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 581' ' ' ILE . . . . . 0.937 ' HB ' ' HB3' ' A' ' 584' ' ' ALA . 24.2 pt -156.3 45.41 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -53.78 -19.96 11.63 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.35 35.98 4.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 109.945 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 584' ' ' ALA . . . . . 0.937 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -151.97 142.76 22.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.55 -4.49 14.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.994 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 586' ' ' GLN . . . . . 0.635 ' O ' ' HB2' ' A' ' 554' ' ' ALA . 3.2 mt-30 -151.43 139.15 19.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.315 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.529 ' CD1' HG11 ' A' ' 579' ' ' VAL . 0.1 OUTLIER -139.76 141.59 36.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -98.83 145.12 27.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 0.0 110.321 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 589' ' ' ALA . . . . . . . . . . . . . . . -138.09 142.02 40.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.409 ' HB2' ' OD1' ' A' ' 605' ' ' ASN . . . -127.89 157.7 39.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 591' ' ' PHE . . . . . 0.489 ' CZ ' ' HE1' ' A' ' 566' ' ' MET . 7.3 m-85 -122.4 127.1 49.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 592' ' ' ASN . . . . . 0.409 ' HA ' ' O ' ' A' ' 597' ' ' ASN . 17.3 p30 -139.0 158.79 43.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 24.1 p-10 -82.71 -31.66 28.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 178.99 -47.8 0.09 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.566 1.166 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 10.9 t30 170.06 77.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 175.67 -37.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 597' ' ' ASN . . . . . 0.409 ' O ' ' HA ' ' A' ' 592' ' ' ASN . 17.5 m-20 -118.43 118.94 33.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 51.3 m95 -123.25 140.88 52.56 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 107.97 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 -179.949 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 605' ' ' ASN . . . . . 0.409 ' OD1' ' HB2' ' A' ' 590' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 606' ' ' TYR . . . . . 0.62 ' CB ' ' CZ ' ' A' ' 608' ' ' PHE . 12.8 m-85 -111.39 160.9 16.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 4.8 mp -109.52 119.87 40.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 608' ' ' PHE . . . . . 0.62 ' CZ ' ' CB ' ' A' ' 606' ' ' TYR . 34.1 m-85 -125.05 141.35 52.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 111.044 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 609' ' ' SER . . . . . 0.449 ' O ' HG13 ' A' ' 536' ' ' VAL . 28.1 t -111.72 170.11 8.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.036 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 610' ' ' THR . . . . . 0.879 HG23 HD11 ' A' ' 581' ' ' ILE . 74.9 p -46.15 167.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.37 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 107.92 -150.74 16.95 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 612' ' ' THR . . . . . 0.507 HG21 ' HA ' ' A' ' 630' ' ' ALA . 17.6 m -114.71 135.54 54.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 0.753 . . . . 0.0 110.393 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.68 157.8 45.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 614' ' ' THR . . . . . 0.525 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 3.6 m -133.63 112.4 11.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.378 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 615' ' ' TYR . . . . . 0.427 ' HA ' HG23 ' A' ' 626' ' ' ILE . 2.5 t80 -100.03 115.22 29.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 52.1 m -108.53 100.78 39.98 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.389 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.13 0 O-C-N 124.497 1.788 . . . . 0.0 110.991 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 6.2 p . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 626' ' ' ILE . . . . . 0.525 ' HA ' ' O ' ' A' ' 614' ' ' THR . 0.2 OUTLIER -120.82 124.0 71.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.76 122.37 46.61 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.462 1.101 . . . . 0.0 110.26 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.67 147.03 37.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.395 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 111.59 139.9 8.0 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 111.029 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.507 ' HA ' HG21 ' A' ' 612' ' ' THR . . . -63.13 113.88 10.83 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 631' ' ' PRO . . . . . 0.494 ' HG2' ' CD2' ' A' ' 539' ' ' TYR . 18.4 Cg_endo -74.98 166.32 29.46 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.501 1.79 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 99.6 p . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.004 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 534' ' ' ASN . . . . . 0.445 ' O ' ' HA ' ' A' ' 580' ' ' ASP . 1.6 m-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 535' ' ' LYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 579' ' ' VAL . 0.0 OUTLIER -145.69 156.4 43.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 536' ' ' VAL . . . . . 0.781 HG22 ' O ' ' A' ' 579' ' ' VAL . 13.3 m -125.02 119.27 55.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 16.3 m -100.39 121.87 42.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.345 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 538' ' ' VAL . . . . . 0.472 HG13 ' OG ' ' A' ' 613' ' ' SER . 1.6 t -124.89 127.76 72.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 539' ' ' TYR . . . . . 0.519 ' CD2' ' HG2' ' A' ' 631' ' ' PRO . 3.4 m-85 -107.92 130.2 55.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.965 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 540' ' ' TYR . . . . . 0.538 ' CE1' ' O ' ' A' ' 541' ' ' LYS . 1.2 t80 -125.53 138.22 53.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 541' ' ' LYS . . . . . 0.538 ' O ' ' CE1' ' A' ' 540' ' ' TYR . 12.5 tttt -89.55 114.11 25.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 542' ' ' LYS . . . . . 0.433 ' HA ' ' HA3' ' A' ' 543' ' ' GLY . 0.0 OUTLIER -103.42 143.89 32.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 543' ' ' GLY . . . . . 0.433 ' HA3' ' HA ' ' A' ' 542' ' ' LYS . . . 147.31 -119.85 1.17 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -0.009 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -106.71 -85.17 0.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 0.748 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -151.47 -51.58 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 546' ' ' SER . . . . . 0.455 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 0.6 OUTLIER -166.98 62.06 0.64 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.989 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 547' ' ' PRO . . . . . 0.455 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.3 Cg_endo -74.99 145.03 30.98 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.505 1.792 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -95.76 161.53 13.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.958 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 549' ' ' ILE . . . . . 0.642 HD12 ' CG ' ' A' ' 566' ' ' MET . 0.1 OUTLIER -129.89 135.2 61.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 550' ' ' HIS . . . . . 0.731 ' CE1' ' HB2' ' A' ' 561' ' ' ALA . 11.2 t-160 -115.23 115.0 25.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 109.565 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 551' ' ' TYR . . . . . 0.804 ' CE2' HD13 ' A' ' 577' ' ' ILE . 0.1 OUTLIER -126.22 160.83 29.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 552' ' ' ARG . . . . . 0.504 ' NE ' ' NE1' ' A' ' 558' ' ' TRP . 0.0 OUTLIER -143.97 140.88 17.57 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.341 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 553' ' ' PRO . . . . . 0.485 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.3 Cg_endo -74.98 138.95 23.74 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.539 1.81 . . . . 0.0 111.014 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 554' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 586' ' ' GLN . . . -69.82 60.83 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 555' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 553' ' ' PRO . . . 147.73 39.3 0.04 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.54 1.15 . . . . 0.0 111.038 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 556' ' ' GLY . . . . . 0.43 ' HA3' ' HG2' ' A' ' 553' ' ' PRO . . . -145.35 -93.62 0.15 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 557' ' ' SER . . . . . 0.485 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 35.9 t -177.86 -173.62 0.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 0.737 . . . . 0.0 110.02 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 558' ' ' TRP . . . . . 0.504 ' NE1' ' NE ' ' A' ' 552' ' ' ARG . 52.6 m95 -99.58 112.64 24.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 108.038 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 559' ' ' THR . . . . . 0.535 HG22 ' H ' ' A' ' 560' ' ' ALA . 18.8 m -48.52 175.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 560' ' ' ALA . . . . . 0.535 ' H ' HG22 ' A' ' 559' ' ' THR . . . -72.37 107.0 4.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 561' ' ' ALA . . . . . 0.731 ' HB2' ' CE1' ' A' ' 550' ' ' HIS . . . -71.04 134.56 85.41 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 562' ' ' PRO . . . . . 0.508 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.3 Cg_endo -74.96 150.15 94.99 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.055 -2.477 . . . . 0.0 111.001 -0.017 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 563' ' ' GLY . . . . . 0.508 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -46.65 -106.61 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.424 1.078 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 564' ' ' VAL . . . . . 0.475 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.1 t -136.83 158.12 36.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 0.761 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 565' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 566' ' ' MET . 0.4 OUTLIER -82.29 120.4 25.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 566' ' ' MET . . . . . 0.642 ' CG ' HD12 ' A' ' 549' ' ' ILE . 0.0 OUTLIER -37.57 141.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 111.025 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 567' ' ' GLN . . . . . 0.441 ' O ' ' O ' ' A' ' 576' ' ' LYS . 0.7 OUTLIER -104.53 119.44 38.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.307 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.79 148.58 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.474 ' HB1' ' CE2' ' A' ' 539' ' ' TYR . . . -89.29 -141.58 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -132.09 9.55 4.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 571' ' ' ILE . . . . . 0.443 ' O ' ' CB ' ' A' ' 572' ' ' SER . 72.4 mt -81.68 -82.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 572' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 571' ' ' ILE . 1.5 t 163.99 92.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.993 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 93.44 6.74 62.45 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.551 1.157 . . . . 0.0 110.985 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -103.84 160.37 14.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 0.784 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 575' ' ' ALA . . . . . 0.568 ' HB1' ' SD ' ' A' ' 566' ' ' MET . . . -120.81 156.42 31.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 576' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' A' ' 567' ' ' GLN . 2.3 ptmm? -152.42 154.59 35.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 577' ' ' ILE . . . . . 0.804 HD13 ' CE2' ' A' ' 551' ' ' TYR . 0.9 OUTLIER -143.42 152.02 16.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 578' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 5.5 m -129.33 127.68 41.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.426 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 579' ' ' VAL . . . . . 0.781 ' O ' HG22 ' A' ' 536' ' ' VAL . 2.7 t -130.38 135.38 60.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 580' ' ' ASP . . . . . 0.471 ' C ' HG23 ' A' ' 581' ' ' ILE . 25.3 t0 -79.15 150.74 31.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 581' ' ' ILE . . . . . 0.919 HD11 HG23 ' A' ' 610' ' ' THR . 40.2 pt -155.3 48.75 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -45.53 -57.24 5.94 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.45 28.66 5.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 0.0 110.027 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 584' ' ' ALA . . . . . 0.787 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -134.21 139.7 45.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 8.4 p -111.02 -4.16 15.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 110.001 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 586' ' ' GLN . . . . . 0.754 ' HB3' HD23 ' A' ' 607' ' ' LEU . 5.6 mt-30 -152.01 137.74 17.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.67 HD21 ' HB2' ' A' ' 551' ' ' TYR . 5.3 tt -135.03 127.78 31.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 588' ' ' GLU . . . . . 0.473 ' O ' ' HA ' ' A' ' 551' ' ' TYR . 5.4 pm0 -89.2 143.15 27.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.321 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 589' ' ' ALA . . . . . 0.528 ' CB ' ' HB3' ' A' ' 551' ' ' TYR . . . -141.73 138.0 32.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -121.67 158.64 28.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 591' ' ' PHE . . . . . 0.798 ' CZ ' ' CD2' ' A' ' 615' ' ' TYR . 65.8 m-85 -118.64 128.45 54.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -153.39 135.71 14.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.82 -19.98 65.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 95.77 6.83 59.22 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.447 1.092 . . . . 0.0 110.96 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -131.17 63.21 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 109.333 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 49.94 50.15 18.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -142.97 71.77 1.35 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -95.55 142.07 28.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 107.971 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 20.9 t0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.975 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 606' ' ' TYR . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 608' ' ' PHE . 75.2 m-85 -130.31 142.56 50.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 607' ' ' LEU . . . . . 0.754 HD23 ' HB3' ' A' ' 586' ' ' GLN . 6.6 mp -99.22 130.76 45.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 608' ' ' PHE . . . . . 0.753 ' HE1' HD13 ' A' ' 626' ' ' ILE . 6.8 m-85 -121.76 144.99 48.48 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 110.971 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 609' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 610' ' ' THR . 42.8 t -110.29 163.84 13.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.977 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 610' ' ' THR . . . . . 0.919 HG23 HD11 ' A' ' 581' ' ' ILE . 35.1 p -38.81 158.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.383 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 112.68 -156.18 15.77 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.541 1.151 . . . . 0.0 111.005 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 612' ' ' THR . . . . . 0.605 HG21 ' HB2' ' A' ' 630' ' ' ALA . 2.1 m -116.16 124.48 50.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 0.743 . . . . 0.0 110.382 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 613' ' ' SER . . . . . 0.472 ' OG ' HG13 ' A' ' 538' ' ' VAL . 81.5 p -132.21 157.35 44.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.989 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 614' ' ' THR . . . . . 0.451 ' CG2' ' HG3' ' A' ' 631' ' ' PRO . 5.8 m -134.14 114.51 13.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.404 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 615' ' ' TYR . . . . . 0.798 ' CD2' ' CZ ' ' A' ' 591' ' ' PHE . 54.5 t80 -97.92 113.6 25.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 60.5 m -113.69 102.23 54.59 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 110.404 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.531 1.806 . . . . 0.0 110.998 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 42.1 p . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 626' ' ' ILE . . . . . 0.753 HD13 ' HE1' ' A' ' 608' ' ' PHE . 0.0 OUTLIER -121.33 136.63 57.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.05 122.79 38.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.165 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.18 148.88 37.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.419 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 107.58 141.58 9.97 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.481 1.113 . . . . 0.0 111.04 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.605 ' HB2' HG21 ' A' ' 612' ' ' THR . . . -59.6 118.15 28.9 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.451 0.736 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 631' ' ' PRO . . . . . 0.519 ' HG2' ' CD2' ' A' ' 539' ' ' TYR . 18.2 Cg_endo -75.03 155.69 42.8 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.502 1.79 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.969 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 534' ' ' ASN . . . . . 0.865 ' HB3' HG21 ' A' ' 610' ' ' THR . 1.1 t-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 535' ' ' LYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 579' ' ' VAL . 0.4 OUTLIER -146.05 158.92 43.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 536' ' ' VAL . . . . . 0.669 HG13 ' HA ' ' A' ' 610' ' ' THR . 0.5 OUTLIER -123.65 124.35 69.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 2.9 m -100.61 124.13 45.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.414 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 1.4 t -126.02 126.62 70.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.35 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 539' ' ' TYR . . . . . 0.666 ' HB3' HG23 ' A' ' 614' ' ' THR . 2.5 m-85 -110.55 128.94 55.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 540' ' ' TYR . . . . . 0.618 ' CE1' ' O ' ' A' ' 541' ' ' LYS . 3.0 t80 -119.54 138.98 52.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 541' ' ' LYS . . . . . 0.618 ' O ' ' CE1' ' A' ' 540' ' ' TYR . 9.6 tttp -93.77 132.02 38.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 542' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 543' ' ' GLY . 0.1 OUTLIER -80.62 137.66 36.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 543' ' ' GLY . . . . . 0.432 ' N ' ' HG3' ' A' ' 542' ' ' LYS . . . 154.42 -133.13 3.75 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 -0.003 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -152.02 -82.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 0.786 . . . . 0.0 111.042 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 545' ' ' ASN . . . . . 0.556 ' O ' ' CB ' ' A' ' 546' ' ' SER . 9.7 m-80 -147.82 24.63 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 546' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' A' ' 545' ' ' ASN . 1.2 m 90.13 72.16 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.992 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 149.52 36.55 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 548' ' ' TYR . . . . . 0.491 ' CE2' ' HB2' ' A' ' 565' ' ' LYS . 7.8 m-85 -91.6 156.93 17.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 549' ' ' ILE . . . . . 0.963 HG23 ' O ' ' A' ' 590' ' ' ALA . 3.7 mt -126.34 144.96 34.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 550' ' ' HIS . . . . . 0.435 ' CE1' ' HE3' ' A' ' 558' ' ' TRP . 2.9 t60 -129.33 116.36 18.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.593 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 551' ' ' TYR . . . . . 0.497 ' CD2' HG22 ' A' ' 549' ' ' ILE . 0.1 OUTLIER -125.73 159.19 32.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.959 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 552' ' ' ARG . . . . . 0.571 ' NE ' ' CD1' ' A' ' 558' ' ' TRP . 4.4 ttm180 -137.71 132.0 17.27 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 553' ' ' PRO . . . . . 0.568 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.2 Cg_endo -75.01 159.6 41.13 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.458 1.767 . . . . 0.0 110.96 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -45.22 -26.77 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 555' ' ' GLY . . . . . 0.418 ' N ' ' C ' ' A' ' 553' ' ' PRO . . . -60.28 -19.29 52.1 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.442 1.089 . . . . 0.0 111.039 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 556' ' ' GLY . . . . . 0.496 ' O ' ' NH2' ' A' ' 552' ' ' ARG . . . 82.13 40.87 9.86 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 557' ' ' SER . . . . . 0.568 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 0.0 OUTLIER -110.15 137.73 47.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 110.021 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 558' ' ' TRP . . . . . 0.571 ' CD1' ' NE ' ' A' ' 552' ' ' ARG . 92.5 m95 -120.37 102.54 8.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 108.026 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 559' ' ' THR . . . . . 0.502 HG22 ' N ' ' A' ' 560' ' ' ALA . 32.3 m -45.12 171.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 110.375 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 560' ' ' ALA . . . . . 0.502 ' N ' HG22 ' A' ' 559' ' ' THR . . . -61.24 107.63 0.79 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 561' ' ' ALA . . . . . 0.487 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -64.07 132.28 95.24 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 562' ' ' PRO . . . . . 0.56 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.4 Cg_endo -75.0 145.22 83.34 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 120.989 -2.505 . . . . 0.0 111.016 -0.049 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 563' ' ' GLY . . . . . 0.56 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -32.06 -99.88 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 564' ' ' VAL . . . . . 0.425 ' HB ' ' OH ' ' A' ' 551' ' ' TYR . 1.3 t -137.82 157.6 32.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 565' ' ' LYS . . . . . 0.491 ' HB2' ' CE2' ' A' ' 548' ' ' TYR . 0.1 OUTLIER -89.71 107.1 18.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 566' ' ' MET . . . . . 0.899 ' CE ' HD12 ' A' ' 549' ' ' ILE . 0.0 OUTLIER -33.12 137.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 567' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.81 127.05 52.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.78 149.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.65 ' HB2' ' HB3' ' A' ' 576' ' ' LYS . . . -87.39 -136.91 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -132.28 7.48 4.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 571' ' ' ILE . . . . . . . . . . . . . 4.6 mm -84.04 -85.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 169.37 97.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.978 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 88.82 8.18 70.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.89 159.65 15.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 575' ' ' ALA . . . . . 0.531 ' HB1' ' HB3' ' A' ' 566' ' ' MET . . . -115.47 152.72 32.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 576' ' ' LYS . . . . . 0.65 ' HB3' ' HB2' ' A' ' 569' ' ' ALA . 0.2 OUTLIER -152.67 133.97 14.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 577' ' ' ILE . . . . . 0.96 HD12 ' N ' ' A' ' 578' ' ' THR . 0.2 OUTLIER -134.17 152.22 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 578' ' ' THR . . . . . 0.96 ' N ' HD12 ' A' ' 577' ' ' ILE . 30.1 m -126.45 136.08 52.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.376 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 579' ' ' VAL . . . . . 0.745 HG23 ' CD1' ' A' ' 577' ' ' ILE . 42.1 t -132.13 128.19 58.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 580' ' ' ASP . . . . . 0.535 ' O ' HG23 ' A' ' 581' ' ' ILE . 0.2 OUTLIER -86.29 148.86 25.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 581' ' ' ILE . . . . . 0.893 ' HB ' ' HB3' ' A' ' 584' ' ' ALA . 44.2 pt -157.53 50.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -54.06 -22.57 21.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.542 1.151 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.37 36.87 4.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 0.775 . . . . 0.0 110.024 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 584' ' ' ALA . . . . . 0.893 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -160.25 142.29 12.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.04 0.41 15.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.994 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -147.63 138.67 23.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 110.314 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.577 ' CD1' HG11 ' A' ' 579' ' ' VAL . 0.5 OUTLIER -144.22 130.25 19.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 588' ' ' GLU . . . . . 0.468 ' HA ' ' O ' ' A' ' 606' ' ' TYR . 2.0 pm0 -89.93 145.05 25.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 589' ' ' ALA . . . . . 0.499 ' HB3' ' HE2' ' A' ' 608' ' ' PHE . . . -134.9 149.34 50.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.963 ' O ' HG23 ' A' ' 549' ' ' ILE . . . -137.28 157.45 46.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 591' ' ' PHE . . . . . 0.733 ' CD2' ' CZ ' ' A' ' 615' ' ' TYR . 1.3 m-85 -122.75 127.99 49.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -148.13 136.25 21.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -25.92 64.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 95.98 33.51 6.3 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.466 1.104 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 44.8 p-10 -149.93 40.3 0.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 109.34 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 39.4 t30 72.59 34.53 1.22 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -129.9 69.22 1.43 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 13.8 m95 -90.96 149.76 21.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 108.024 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 2.9 t70 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.297 179.97 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 2.7 m120 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 606' ' ' TYR . . . . . 0.61 ' C ' HD23 ' A' ' 607' ' ' LEU . 97.2 m-85 -107.21 163.82 12.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 607' ' ' LEU . . . . . 0.63 ' N ' HD23 ' A' ' 607' ' ' LEU . 0.0 OUTLIER -115.2 122.39 45.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 608' ' ' PHE . . . . . 0.679 ' CE1' ' CD1' ' A' ' 626' ' ' ILE . 9.0 m-85 -126.21 146.01 50.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 609' ' ' SER . . . . . 0.492 ' O ' HG13 ' A' ' 536' ' ' VAL . 32.2 t -111.76 166.2 11.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.044 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 610' ' ' THR . . . . . 0.865 HG21 ' HB3' ' A' ' 534' ' ' ASN . 40.8 p -50.34 166.01 0.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 110.433 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 115.88 -155.0 16.54 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.106 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 612' ' ' THR . . . . . 0.619 HG21 ' CA ' ' A' ' 630' ' ' ALA . 36.7 m -112.19 127.64 56.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 0.753 . . . . 0.0 110.384 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 1.4 t -142.52 157.77 44.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 614' ' ' THR . . . . . 0.666 HG23 ' HB3' ' A' ' 539' ' ' TYR . 20.6 m -133.51 118.43 18.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.143 . . . . 0.0 110.407 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 615' ' ' TYR . . . . . 0.733 ' CZ ' ' CD2' ' A' ' 591' ' ' PHE . 0.1 OUTLIER -99.02 113.46 25.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.972 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 52.6 m -110.53 108.14 58.27 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.351 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 179.951 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 21.4 p . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 626' ' ' ILE . . . . . 0.679 ' CD1' ' CE1' ' A' ' 608' ' ' PHE . 0.2 OUTLIER -114.56 132.09 64.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.352 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -115.81 121.44 42.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.29 146.67 36.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 110.406 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 109.25 140.94 9.11 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.619 ' CA ' HG21 ' A' ' 612' ' ' THR . . . -59.66 120.31 48.15 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 631' ' ' PRO . . . . . 0.553 ' HG2' ' CD2' ' A' ' 539' ' ' TYR . 18.4 Cg_endo -75.04 154.77 42.52 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.521 1.801 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 23.6 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.011 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 535' ' ' LYS . . . . . 0.572 ' HD2' HG21 ' A' ' 578' ' ' THR . 15.3 mtmt -147.0 142.88 27.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 536' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 579' ' ' VAL . 2.2 t -116.29 131.05 69.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 80.0 m -101.24 122.02 42.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.396 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -125.47 124.39 66.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 539' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -112.88 124.53 52.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 111.052 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 540' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -121.56 139.7 53.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 3.0 tttm -92.73 112.89 25.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 542' ' ' LYS . . . . . 0.45 ' HA ' ' HA3' ' A' ' 543' ' ' GLY . 7.4 ttpt -86.01 143.38 28.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 543' ' ' GLY . . . . . 0.45 ' HA3' ' HA ' ' A' ' 542' ' ' LYS . . . 140.97 -125.66 2.88 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.521 1.138 . . . . 0.0 110.955 -0.104 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 544' ' ' PHE . . . . . 0.544 ' CD1' ' HG3' ' A' ' 547' ' ' PRO . 4.1 m-85 -116.36 -125.15 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.749 . . . . 0.0 111.035 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -106.72 -51.43 2.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 546' ' ' SER . . . . . 0.427 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 41.2 m -171.32 63.6 0.38 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.023 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 547' ' ' PRO . . . . . 0.544 ' HG3' ' CD1' ' A' ' 544' ' ' PHE . 18.5 Cg_endo -74.97 146.42 32.76 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 548' ' ' TYR . . . . . 0.56 ' CE2' ' HG3' ' A' ' 565' ' ' LYS . 1.8 m-85 -95.98 161.1 14.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 549' ' ' ILE . . . . . 0.654 HD11 ' HB1' ' A' ' 589' ' ' ALA . 0.8 OUTLIER -124.28 142.68 40.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.26 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 550' ' ' HIS . . . . . 0.411 ' CE1' ' HE3' ' A' ' 558' ' ' TRP . 2.2 t60 -130.34 117.35 19.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.613 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 551' ' ' TYR . . . . . 0.804 ' HB2' HD21 ' A' ' 587' ' ' LEU . 0.1 OUTLIER -120.32 160.06 23.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 552' ' ' ARG . . . . . 0.574 ' HD3' ' CD1' ' A' ' 558' ' ' TRP . 1.2 ttp85 -133.49 135.33 24.98 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.324 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 553' ' ' PRO . . . . . 0.508 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.2 Cg_endo -74.98 153.16 41.7 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.484 1.781 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 554' ' ' ALA . . . . . 0.402 ' HB2' ' O ' ' A' ' 586' ' ' GLN . . . -48.38 -24.29 1.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.246 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -53.05 -20.02 8.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.465 1.103 . . . . 0.0 111.031 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 89.1 21.98 40.01 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 557' ' ' SER . . . . . 0.545 ' O ' ' CG ' ' A' ' 552' ' ' ARG . 0.1 OUTLIER -103.75 169.62 8.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 0.786 . . . . 0.0 110.006 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 558' ' ' TRP . . . . . 0.574 ' CD1' ' HD3' ' A' ' 552' ' ' ARG . 87.9 m95 -135.95 117.95 15.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 107.992 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 559' ' ' THR . . . . . 0.428 HG22 ' N ' ' A' ' 560' ' ' ALA . 84.8 m -59.37 169.96 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.419 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 560' ' ' ALA . . . . . 0.428 ' N ' HG22 ' A' ' 559' ' ' THR . . . -56.89 108.47 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 561' ' ' ALA . . . . . 0.483 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -78.18 132.59 66.32 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 562' ' ' PRO . . . . . 0.491 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.1 Cg_endo -75.06 145.23 83.29 Favored 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 120.989 -2.504 . . . . 0.0 110.969 0.085 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 563' ' ' GLY . . . . . 0.491 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -38.3 -99.23 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.52 1.138 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 564' ' ' VAL . . . . . 0.532 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 2.2 t -137.31 159.13 35.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 0.78 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 565' ' ' LYS . . . . . 0.56 ' HG3' ' CE2' ' A' ' 548' ' ' TYR . 0.0 OUTLIER -84.93 112.8 20.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 566' ' ' MET . . . . . 0.6 ' HG2' HG21 ' A' ' 549' ' ' ILE . 0.0 OUTLIER -35.43 133.3 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 111.04 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 567' ' ' GLN . . . . . 0.438 ' O ' ' O ' ' A' ' 576' ' ' LYS . 19.0 mt-30 -100.51 115.0 29.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 568' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 567' ' ' GLN . 0.3 OUTLIER -39.22 149.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -82.33 -146.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -124.15 3.18 8.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 571' ' ' ILE . . . . . 0.596 HG22 ' N ' ' A' ' 572' ' ' SER . 76.0 mt -82.65 -93.66 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 572' ' ' SER . . . . . 0.596 ' N ' HG22 ' A' ' 571' ' ' ILE . 5.8 t 177.9 94.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.011 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 96.03 9.73 56.87 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -103.98 158.51 16.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 575' ' ' ALA . . . . . . . . . . . . . . . -116.71 152.19 34.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 576' ' ' LYS . . . . . 0.438 ' O ' ' O ' ' A' ' 567' ' ' GLN . 0.0 OUTLIER -152.04 128.98 10.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 577' ' ' ILE . . . . . 0.944 HD11 HG23 ' A' ' 579' ' ' VAL . 0.2 OUTLIER -131.33 152.23 36.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 578' ' ' THR . . . . . 0.925 ' N ' HD12 ' A' ' 577' ' ' ILE . 65.6 m -115.8 141.75 47.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.37 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 579' ' ' VAL . . . . . 0.944 HG23 HD11 ' A' ' 577' ' ' ILE . 82.8 t -130.83 119.25 44.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.38 125.76 31.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 581' ' ' ILE . . . . . 1.014 HD11 HG23 ' A' ' 610' ' ' THR . 37.1 pt -137.36 49.18 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -55.0 -20.8 21.6 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.556 1.16 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.86 39.47 3.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 0.767 . . . . 0.0 110.038 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 584' ' ' ALA . . . . . 0.843 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -153.55 143.9 22.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 93.2 p -111.56 -3.53 15.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 110.036 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 586' ' ' GLN . . . . . 0.402 ' O ' ' HB2' ' A' ' 554' ' ' ALA . 86.5 mt-30 -151.33 138.49 19.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.881 HD22 HG11 ' A' ' 579' ' ' VAL . 5.8 tt -146.83 126.57 13.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 588' ' ' GLU . . . . . 0.511 ' HA ' ' O ' ' A' ' 606' ' ' TYR . 1.5 pm0 -91.42 144.18 25.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 110.28 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 589' ' ' ALA . . . . . 0.654 ' HB1' HD11 ' A' ' 549' ' ' ILE . . . -133.55 134.76 43.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -119.53 164.0 16.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 591' ' ' PHE . . . . . 0.816 ' CE1' ' CD2' ' A' ' 615' ' ' TYR . 35.0 m-85 -122.4 127.3 49.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 592' ' ' ASN . . . . . 0.408 ' HA ' ' O ' ' A' ' 597' ' ' ASN . 8.9 p30 -141.75 136.37 30.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.249 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -54.14 -43.3 70.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 594' ' ' GLY . . . . . 0.48 ' O ' ' CB ' ' A' ' 595' ' ' ASN . . . 170.79 39.56 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 595' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 594' ' ' GLY . 12.8 t-20 80.48 84.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 0.753 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 596' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' A' ' 595' ' ' ASN . 1.2 m-20 160.38 -27.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 597' ' ' ASN . . . . . 0.408 ' O ' ' HA ' ' A' ' 592' ' ' ASN . 1.2 t-20 -138.95 90.25 2.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 26.1 m95 -97.15 142.7 28.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.122 . . . . 0.0 108.003 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 3.3 t0 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.353 179.968 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 606' ' ' TYR . . . . . 0.601 ' CB ' ' CZ ' ' A' ' 608' ' ' PHE . 42.7 m-85 -110.07 163.13 13.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 607' ' ' LEU . . . . . 0.845 HD13 ' N ' ' A' ' 607' ' ' LEU . 0.0 OUTLIER -119.2 121.45 39.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 608' ' ' PHE . . . . . 0.601 ' CZ ' ' CB ' ' A' ' 606' ' ' TYR . 11.8 m-85 -127.28 143.47 51.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 9.9 t -112.15 169.35 8.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.962 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 610' ' ' THR . . . . . 1.014 HG23 HD11 ' A' ' 581' ' ' ILE . 44.9 p -42.57 164.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.423 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 110.78 -145.86 17.47 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 612' ' ' THR . . . . . 0.434 HG21 ' CA ' ' A' ' 630' ' ' ALA . 25.3 m -121.3 134.58 55.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 0.756 . . . . 0.0 110.408 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 10.0 m -142.23 157.54 44.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.016 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 614' ' ' THR . . . . . 0.475 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 7.2 m -132.99 115.01 14.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.399 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 615' ' ' TYR . . . . . 0.816 ' CD2' ' CE1' ' A' ' 591' ' ' PHE . 90.0 t80 -97.36 114.01 25.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.528 1.143 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 85.8 m -120.13 99.5 48.56 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.332 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.192 0 O-C-N 124.485 1.782 . . . . 0.0 110.983 179.935 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 14.7 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.431 -0.211 . . . . 0.0 110.431 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 626' ' ' ILE . . . . . 0.58 HG23 ' HA ' ' A' ' 615' ' ' TYR . 0.1 OUTLIER -117.98 135.84 57.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.26 122.84 40.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.08 147.22 38.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.378 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 109.3 140.82 9.05 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.434 ' CA ' HG21 ' A' ' 612' ' ' THR . . . -59.71 118.69 33.99 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.46 0.741 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 172.91 15.45 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.505 1.792 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.922 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 534' ' ' ASN . . . . . 0.458 ' O ' ' HA ' ' A' ' 580' ' ' ASP . 1.1 t-20 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 535' ' ' LYS . . . . . 0.555 ' HB3' HG22 ' A' ' 578' ' ' THR . 10.8 mtmm -144.94 152.64 40.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 536' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 579' ' ' VAL . 34.1 m -119.55 115.03 46.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 90.0 m -100.82 121.22 41.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.382 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 538' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 576' ' ' LYS . 3.8 t -127.5 135.56 62.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 539' ' ' TYR . . . . . 0.543 ' CE1' ' HB2' ' A' ' 576' ' ' LYS . 4.2 m-85 -109.63 134.22 52.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 540' ' ' TYR . . . . . 0.581 ' CD1' ' CE2' ' A' ' 615' ' ' TYR . 1.8 t80 -118.58 139.24 51.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.412 1.07 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 541' ' ' LYS . . . . . 0.471 ' O ' ' CE1' ' A' ' 540' ' ' TYR . 0.1 OUTLIER -93.32 113.92 26.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 542' ' ' LYS . . . . . 0.501 ' HA ' ' HA3' ' A' ' 543' ' ' GLY . 6.7 ttpt -93.93 142.01 27.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.351 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 543' ' ' GLY . . . . . 0.501 ' HA3' ' HA ' ' A' ' 542' ' ' LYS . . . 143.38 -131.33 4.47 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.538 1.148 . . . . 0.0 110.959 -0.024 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 544' ' ' PHE . . . . . 0.518 ' CD1' ' N ' ' A' ' 544' ' ' PHE . 3.6 m-85 -118.03 -137.4 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.765 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -103.98 -49.04 3.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 41.3 m -139.55 68.45 38.13 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.988 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 141.67 26.87 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.482 1.78 . . . . 0.0 110.979 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 548' ' ' TYR . . . . . 0.519 ' CZ ' ' HB2' ' A' ' 565' ' ' LYS . 1.4 m-85 -124.72 150.57 46.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 110.959 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 549' ' ' ILE . . . . . 0.939 HG23 ' O ' ' A' ' 590' ' ' ALA . 3.6 mt -126.3 144.72 35.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 550' ' ' HIS . . . . . 0.406 ' CE1' ' HB2' ' A' ' 561' ' ' ALA . 19.3 t-160 -124.9 115.19 20.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.583 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 551' ' ' TYR . . . . . 0.567 ' HB2' HD21 ' A' ' 587' ' ' LEU . 0.1 OUTLIER -125.84 158.42 35.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 552' ' ' ARG . . . . . 0.536 ' CG ' ' O ' ' A' ' 557' ' ' SER . 0.0 OUTLIER -135.72 133.48 20.12 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.343 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 553' ' ' PRO . . . . . 0.544 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.2 Cg_endo -75.02 155.79 42.84 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.51 1.795 . . . . 0.0 110.972 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 554' ' ' ALA . . . . . 0.502 ' HB3' ' CB ' ' A' ' 584' ' ' ALA . . . -40.31 -30.05 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 555' ' ' GLY . . . . . 0.438 ' N ' ' C ' ' A' ' 553' ' ' PRO . . . -52.41 -23.0 11.85 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.496 1.122 . . . . 0.0 111.039 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 86.11 27.82 29.98 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 557' ' ' SER . . . . . 0.544 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 0.3 OUTLIER -100.63 140.2 35.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 0.728 . . . . 0.0 109.975 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 558' ' ' TRP . . . . . 0.535 ' CD2' ' HB2' ' A' ' 552' ' ' ARG . 90.6 m95 -122.4 97.46 5.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 108.001 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 559' ' ' THR . . . . . 0.487 ' CG2' ' N ' ' A' ' 560' ' ' ALA . 1.4 m -46.01 169.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.424 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 560' ' ' ALA . . . . . 0.487 ' N ' ' CG2' ' A' ' 559' ' ' THR . . . -55.33 109.68 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 561' ' ' ALA . . . . . 0.478 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -68.27 132.47 91.62 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 562' ' ' PRO . . . . . 0.498 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.3 Cg_endo -75.02 143.66 78.49 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 121.023 -2.49 . . . . 0.0 110.983 0.002 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 563' ' ' GLY . . . . . 0.498 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -35.11 -98.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.477 1.111 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 2.1 t -137.11 158.55 36.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 565' ' ' LYS . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 548' ' ' TYR . 1.2 ttpp -89.11 110.42 21.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 566' ' ' MET . . . . . 0.67 ' SD ' HG23 ' A' ' 577' ' ' ILE . 0.0 OUTLIER -36.25 141.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.98 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 567' ' ' GLN . . . . . 0.448 ' H ' HG22 ' A' ' 577' ' ' ILE . 1.6 mm-40 -105.79 133.84 49.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.29 150.01 0.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.803 ' HB2' ' HB3' ' A' ' 576' ' ' LYS . . . -94.89 -142.87 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.242 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -125.91 10.45 7.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 571' ' ' ILE . . . . . 0.428 ' O ' ' CB ' ' A' ' 572' ' ' SER . 17.4 mm -83.18 -83.4 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 572' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' A' ' 571' ' ' ILE . 0.6 OUTLIER 165.15 95.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 89.0 7.97 69.69 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -107.2 161.02 15.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 110.989 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 575' ' ' ALA . . . . . 0.613 ' HB1' ' HB3' ' A' ' 566' ' ' MET . . . -115.72 154.99 28.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 576' ' ' LYS . . . . . 0.803 ' HB3' ' HB2' ' A' ' 569' ' ' ALA . 0.0 OUTLIER -154.2 138.42 16.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 577' ' ' ILE . . . . . 0.67 HG23 ' SD ' ' A' ' 566' ' ' MET . 0.8 OUTLIER -134.71 152.08 32.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 578' ' ' THR . . . . . 0.555 HG22 ' HB3' ' A' ' 535' ' ' LYS . 4.9 m -128.89 129.13 45.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.421 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 579' ' ' VAL . . . . . 0.55 ' O ' HG22 ' A' ' 536' ' ' VAL . 2.2 t -127.61 130.86 70.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 580' ' ' ASP . . . . . 0.458 ' HA ' ' O ' ' A' ' 534' ' ' ASN . 21.7 t70 -78.72 149.38 32.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 581' ' ' ILE . . . . . 0.924 HD11 HG23 ' A' ' 610' ' ' THR . 40.3 pt -151.48 48.68 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -50.85 -29.81 20.38 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.89 36.69 4.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 0.737 . . . . 0.0 110.048 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 584' ' ' ALA . . . . . 0.838 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -151.96 139.46 19.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 51.2 m -116.67 6.25 13.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.011 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 586' ' ' GLN . . . . . 0.611 ' HB3' HD11 ' A' ' 607' ' ' LEU . 72.4 mt-30 -149.79 139.08 21.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 110.319 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.567 HD21 ' HB2' ' A' ' 551' ' ' TYR . 5.9 tt -141.36 128.0 20.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 588' ' ' GLU . . . . . 0.481 ' CG ' ' HB2' ' A' ' 605' ' ' ASN . 1.5 tt0 -89.68 146.67 24.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 589' ' ' ALA . . . . . . . . . . . . . . . -138.98 146.89 41.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.939 ' O ' HG23 ' A' ' 549' ' ' ILE . . . -137.81 153.81 49.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 591' ' ' PHE . . . . . 0.804 ' CE2' ' CD1' ' A' ' 615' ' ' TYR . 1.6 m-85 -115.94 127.56 55.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 592' ' ' ASN . . . . . 0.558 ' HB3' ' CE3' ' A' ' 598' ' ' TRP . 2.5 p30 -149.05 136.34 20.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -56.91 -53.87 53.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 594' ' ' GLY . . . . . 0.509 ' O ' ' CB ' ' A' ' 595' ' ' ASN . . . 178.37 38.38 0.06 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 595' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' A' ' 594' ' ' GLY . 8.8 t-20 82.42 86.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 596' ' ' ASN . . . . . 0.481 ' CB ' ' O ' ' A' ' 595' ' ' ASN . 2.8 m-20 157.44 -25.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -140.18 86.79 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.268 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 598' ' ' TRP . . . . . 0.558 ' CE3' ' HB3' ' A' ' 592' ' ' ASN . 39.2 m95 -96.85 124.17 40.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 108.036 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 605' ' ' ASN . . . . . 0.803 ' N ' HD21 ' A' ' 605' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 606' ' ' TYR . . . . . 0.543 ' CB ' HD11 ' A' ' 626' ' ' ILE . 28.5 m-85 -129.87 130.48 45.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 607' ' ' LEU . . . . . 0.611 HD11 ' HB3' ' A' ' 586' ' ' GLN . 5.8 tt -114.17 132.98 55.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 608' ' ' PHE . . . . . 0.577 ' CZ ' ' HB ' ' A' ' 626' ' ' ILE . 25.9 m-85 -144.5 159.39 42.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 111.039 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 609' ' ' SER . . . . . 0.423 ' O ' ' O ' ' A' ' 610' ' ' THR . 19.3 t -110.68 174.22 5.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.026 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 610' ' ' THR . . . . . 0.924 HG23 HD11 ' A' ' 581' ' ' ILE . 24.2 p -37.39 156.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.386 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 122.03 -162.92 15.62 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.537 1.148 . . . . 0.0 111.031 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 612' ' ' THR . . . . . . . . . . . . . 2.1 m -111.2 125.93 54.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 0.724 . . . . 0.0 110.379 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.74 156.41 48.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.971 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 614' ' ' THR . . . . . 0.505 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 5.7 m -134.9 118.28 16.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.405 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 615' ' ' TYR . . . . . 0.804 ' CD1' ' CE2' ' A' ' 591' ' ' PHE . 0.0 OUTLIER -96.32 120.01 35.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.972 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 59.6 m -120.89 112.92 33.29 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.398 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.128 0 O-C-N 124.56 1.821 . . . . 0.0 110.98 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 33.5 p . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 626' ' ' ILE . . . . . 0.665 HG23 ' CA ' ' A' ' 615' ' ' TYR . 0.8 OUTLIER -120.62 128.51 76.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.49 131.32 55.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.26 147.31 38.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.389 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 112.51 140.61 7.95 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.491 1.119 . . . . 0.0 111.038 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -59.85 123.36 71.45 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.517 0.775 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 163.79 34.68 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.497 1.788 . . . . 0.0 111.025 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 33.3 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.005 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 534' ' ' ASN . . . . . 0.544 ' CB ' HG21 ' A' ' 610' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -142.48 141.72 32.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 536' ' ' VAL . . . . . 0.894 HG12 ' HA ' ' A' ' 610' ' ' THR . 25.8 m -114.73 114.8 47.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 537' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 577' ' ' ILE . 24.3 m -100.68 124.23 45.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.379 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 21.6 t -125.54 140.92 46.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 539' ' ' TYR . . . . . 0.448 ' CE2' ' CB ' ' A' ' 569' ' ' ALA . 4.4 m-85 -111.87 134.17 53.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 540' ' ' TYR . . . . . 0.726 ' HB3' ' HB3' ' A' ' 575' ' ' ALA . 29.5 t80 -118.25 138.86 52.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -90.69 127.39 36.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.25 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 542' ' ' LYS . . . . . 0.446 ' HA ' ' HA3' ' A' ' 543' ' ' GLY . 0.2 OUTLIER -80.18 136.51 36.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.355 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 543' ' ' GLY . . . . . 0.446 ' HA3' ' HA ' ' A' ' 542' ' ' LYS . . . 157.42 -154.41 25.51 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 0.046 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -124.23 -76.56 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 0.0 110.984 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -156.66 -48.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 546' ' ' SER . . . . . 0.448 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 34.8 p -174.4 62.58 0.25 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.992 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 547' ' ' PRO . . . . . 0.448 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.2 Cg_endo -75.0 148.37 35.18 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.528 1.804 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 548' ' ' TYR . . . . . 0.404 ' CZ ' ' HB2' ' A' ' 565' ' ' LYS . 6.8 m-85 -105.17 160.79 14.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 549' ' ' ILE . . . . . 0.602 HG21 ' HG2' ' A' ' 566' ' ' MET . 0.2 OUTLIER -130.26 143.5 40.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 550' ' ' HIS . . . . . 0.523 ' CE1' ' HB2' ' A' ' 561' ' ' ALA . 9.3 t-160 -127.43 117.78 22.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.586 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 551' ' ' TYR . . . . . 0.59 ' CE2' HG12 ' A' ' 549' ' ' ILE . 0.2 OUTLIER -127.9 159.93 33.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 111.032 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 552' ' ' ARG . . . . . 0.578 ' HD3' ' CD1' ' A' ' 558' ' ' TRP . 0.3 OUTLIER -143.88 151.54 53.16 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.339 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 553' ' ' PRO . . . . . 0.511 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.2 Cg_endo -75.01 155.97 42.92 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.472 1.775 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 554' ' ' ALA . . . . . 0.475 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -33.65 -73.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -126.12 85.98 0.35 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -146.43 -90.95 0.1 Allowed Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 557' ' ' SER . . . . . 0.511 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 30.2 t -167.19 -179.17 4.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 0.783 . . . . 0.0 109.997 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 558' ' ' TRP . . . . . 0.578 ' CD1' ' HD3' ' A' ' 552' ' ' ARG . 62.9 m95 -108.55 117.37 33.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 108.06 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 559' ' ' THR . . . . . 0.46 HG22 ' H ' ' A' ' 560' ' ' ALA . 6.3 m -47.15 174.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.42 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 560' ' ' ALA . . . . . 0.46 ' H ' HG22 ' A' ' 559' ' ' THR . . . -72.22 107.66 4.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 561' ' ' ALA . . . . . 0.523 ' HB2' ' CE1' ' A' ' 550' ' ' HIS . . . -69.37 134.38 88.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 562' ' ' PRO . . . . . 0.552 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.2 Cg_endo -75.02 147.52 89.46 Favored 'Cis proline' 0 C--N 1.361 1.219 0 C-N-CA 120.978 -2.509 . . . . 0.0 110.96 0.038 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 563' ' ' GLY . . . . . 0.552 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -39.9 -103.25 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 564' ' ' VAL . . . . . 0.511 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.9 t -137.04 158.67 36.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.449 0.735 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 565' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 566' ' ' MET . 0.0 OUTLIER -89.43 109.74 20.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 566' ' ' MET . . . . . 0.602 ' HG2' HG21 ' A' ' 549' ' ' ILE . 0.0 OUTLIER -35.11 131.06 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 567' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -102.59 127.98 49.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.307 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.43 149.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.654 ' HB2' ' HB3' ' A' ' 576' ' ' LYS . . . -88.05 -143.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -124.96 8.72 8.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.344 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 571' ' ' ILE . . . . . 0.419 HG22 ' N ' ' A' ' 572' ' ' SER . 10.7 mm -84.5 -94.18 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 572' ' ' SER . . . . . 0.419 ' N ' HG22 ' A' ' 571' ' ' ILE . 0.1 OUTLIER 175.78 94.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 110.016 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 94.21 6.81 61.28 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -104.41 160.66 14.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 111.017 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 575' ' ' ALA . . . . . 0.726 ' HB3' ' HB3' ' A' ' 540' ' ' TYR . . . -115.79 155.5 27.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 576' ' ' LYS . . . . . 0.654 ' HB3' ' HB2' ' A' ' 569' ' ' ALA . 0.0 OUTLIER -151.94 138.95 19.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 0.0 109.366 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 577' ' ' ILE . . . . . 0.951 HD12 ' N ' ' A' ' 578' ' ' THR . 0.2 OUTLIER -141.89 151.64 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 578' ' ' THR . . . . . 0.951 ' N ' HD12 ' A' ' 577' ' ' ILE . 29.4 m -128.43 135.85 50.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 110.41 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 579' ' ' VAL . . . . . 0.812 ' O ' HG22 ' A' ' 536' ' ' VAL . 54.2 t -132.06 119.67 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 580' ' ' ASP . . . . . 0.442 ' HA ' ' O ' ' A' ' 534' ' ' ASN . 0.0 OUTLIER -82.1 125.48 30.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 581' ' ' ILE . . . . . 0.837 ' HB ' ' HB3' ' A' ' 584' ' ' ALA . 6.8 pt -99.5 -56.47 5.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 582' ' ' GLY . . . . . 0.534 ' O ' ' CB ' ' A' ' 583' ' ' SER . . . 58.1 98.18 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.484 1.115 . . . . 0.0 110.963 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 583' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 582' ' ' GLY . 1.2 t 87.7 23.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 0.73 . . . . 0.0 110.014 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 584' ' ' ALA . . . . . 0.837 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -135.75 143.34 45.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 89.8 p -114.79 1.09 14.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.988 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 586' ' ' GLN . . . . . 0.457 ' O ' ' HB2' ' A' ' 554' ' ' ALA . 28.7 mt-30 -151.27 138.43 19.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 110.271 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.682 HD11 HG11 ' A' ' 579' ' ' VAL . 0.3 OUTLIER -144.0 133.78 23.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 588' ' ' GLU . . . . . 0.43 ' HA ' ' O ' ' A' ' 606' ' ' TYR . 1.9 pm0 -92.65 142.09 27.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 589' ' ' ALA . . . . . 0.486 ' HB1' HD11 ' A' ' 549' ' ' ILE . . . -139.05 135.24 34.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -121.25 158.03 28.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 0.0 109.345 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 591' ' ' PHE . . . . . 0.765 ' CZ ' ' CG ' ' A' ' 615' ' ' TYR . 40.0 m-85 -125.58 127.75 46.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 592' ' ' ASN . . . . . 0.514 ' HB3' ' CD2' ' A' ' 598' ' ' TRP . 9.0 p30 -151.02 143.9 24.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 593' ' ' ASP . . . . . 0.432 ' HA ' ' HA ' ' A' ' 547' ' ' PRO . 1.0 OUTLIER -72.6 -16.35 61.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.358 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 94.25 26.53 13.81 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 595' ' ' ASN . . . . . 0.441 ' C ' ' N ' ' A' ' 597' ' ' ASN . 0.7 OUTLIER -154.4 77.96 1.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 0.777 . . . . 0.0 109.251 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 41.92 28.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 597' ' ' ASN . . . . . 0.441 ' N ' ' C ' ' A' ' 595' ' ' ASN . 7.6 m-20 -122.79 76.25 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 598' ' ' TRP . . . . . 0.514 ' CD2' ' HB3' ' A' ' 592' ' ' ASN . 34.5 m95 -104.05 153.38 20.94 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 606' ' ' TYR . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 608' ' ' PHE . 85.2 m-85 -112.96 162.5 15.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 607' ' ' LEU . . . . . 0.452 HD23 ' OE1' ' A' ' 586' ' ' GLN . 1.9 mp -114.48 122.64 47.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 608' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 606' ' ' TYR . 14.0 m-85 -127.64 148.8 50.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 2.3 t -111.37 167.61 10.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.961 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 610' ' ' THR . . . . . 0.894 ' HA ' HG12 ' A' ' 536' ' ' VAL . 45.0 p -54.04 173.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 110.425 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 102.28 -142.48 15.61 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 612' ' ' THR . . . . . 0.647 HG21 ' CA ' ' A' ' 630' ' ' ALA . 55.5 m -114.3 131.75 56.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 110.35 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -142.94 157.44 44.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.979 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 614' ' ' THR . . . . . 0.537 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 10.8 m -133.92 131.96 39.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.373 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 615' ' ' TYR . . . . . 0.765 ' CG ' ' CZ ' ' A' ' 591' ' ' PHE . 4.2 t80 -115.83 119.73 36.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 110.953 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 30.3 m -112.61 112.12 51.39 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.429 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 617' ' ' PRO . . . . . 0.569 ' HG3' ' CE2' ' A' ' 540' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.181 0 O-C-N 124.509 1.794 . . . . 0.0 110.982 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 10.3 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 626' ' ' ILE . . . . . 0.537 ' HA ' ' O ' ' A' ' 614' ' ' THR . 0.2 OUTLIER -120.43 125.1 73.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -107.55 122.4 46.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.23 151.01 36.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 110.387 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 102.85 141.78 11.75 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.573 1.171 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.647 ' CA ' HG21 ' A' ' 612' ' ' THR . . . -59.45 118.56 31.98 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.452 0.736 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 631' ' ' PRO . . . . . 0.43 ' HG3' ' CG2' ' A' ' 614' ' ' THR . 18.2 Cg_endo -75.08 153.53 41.46 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.48 1.779 . . . . 0.0 111.001 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.045 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 534' ' ' ASN . . . . . 0.499 ' C ' ' CD ' ' A' ' 535' ' ' LYS . 2.1 m-20 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 535' ' ' LYS . . . . . 0.499 ' CD ' ' C ' ' A' ' 534' ' ' ASN . 0.1 OUTLIER -148.73 149.51 31.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 536' ' ' VAL . . . . . 0.745 HG12 ' HA ' ' A' ' 610' ' ' THR . 8.0 m -116.02 112.98 41.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 55.4 m -100.37 124.4 45.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.42 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 538' ' ' VAL . . . . . 0.736 HG13 ' HB3' ' A' ' 613' ' ' SER . 2.8 t -127.35 134.09 66.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 539' ' ' TYR . . . . . 0.41 ' CD2' ' HG2' ' A' ' 631' ' ' PRO . 2.8 m-85 -109.33 117.28 33.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 111.034 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 540' ' ' TYR . . . . . 0.597 ' CD2' ' CE1' ' A' ' 591' ' ' PHE . 22.0 t80 -109.39 138.76 45.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -89.25 123.01 33.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 542' ' ' LYS . . . . . 0.543 ' CG ' ' HA3' ' A' ' 543' ' ' GLY . 6.9 ttmt -87.88 138.55 31.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.333 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 543' ' ' GLY . . . . . 0.543 ' HA3' ' CG ' ' A' ' 542' ' ' LYS . . . 150.19 -122.52 1.42 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 -0.001 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -131.52 -87.31 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 0.719 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 545' ' ' ASN . . . . . 0.485 ' O ' ' CB ' ' A' ' 546' ' ' SER . 0.4 OUTLIER -148.92 27.56 0.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 546' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 545' ' ' ASN . 0.7 OUTLIER 85.5 69.08 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 173.72 14.03 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.482 1.78 . . . . 0.0 111.018 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -108.03 143.24 37.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 549' ' ' ILE . . . . . 0.897 HG23 ' O ' ' A' ' 590' ' ' ALA . 4.1 mt -116.65 144.31 24.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 550' ' ' HIS . . . . . 0.553 ' CE1' ' HB2' ' A' ' 561' ' ' ALA . 14.5 t-160 -130.0 117.09 19.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.626 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 551' ' ' TYR . . . . . 0.644 ' HB2' HD21 ' A' ' 587' ' ' LEU . 0.3 OUTLIER -126.58 160.57 30.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 111.019 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 552' ' ' ARG . . . . . 0.722 ' O ' HD22 ' A' ' 587' ' ' LEU . 0.2 OUTLIER -141.65 152.06 61.97 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 553' ' ' PRO . . . . . 0.515 ' O ' ' C ' ' A' ' 554' ' ' ALA . 18.3 Cg_endo -75.01 152.45 40.7 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.448 1.762 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 554' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -30.31 -72.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -126.19 86.65 0.35 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -147.65 -91.55 0.1 Allowed Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 557' ' ' SER . . . . . 0.514 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 40.0 t -168.63 179.83 4.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 0.792 . . . . 0.0 110.017 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 558' ' ' TRP . . . . . 0.525 ' CD1' ' HD3' ' A' ' 552' ' ' ARG . 53.3 m95 -105.67 112.94 26.22 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 559' ' ' THR . . . . . 0.475 HG22 ' H ' ' A' ' 560' ' ' ALA . 88.9 m -46.34 173.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.393 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 560' ' ' ALA . . . . . 0.475 ' H ' HG22 ' A' ' 559' ' ' THR . . . -65.27 107.8 1.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 561' ' ' ALA . . . . . 0.553 ' HB2' ' CE1' ' A' ' 550' ' ' HIS . . . -71.7 133.9 84.27 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.301 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 562' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 561' ' ' ALA . 18.3 Cg_endo -75.0 147.0 88.2 Favored 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 121.04 -2.483 . . . . 0.0 111.015 0.006 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 563' ' ' GLY . . . . . 0.484 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -40.63 -99.27 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 564' ' ' VAL . . . . . 0.518 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.5 t -136.54 157.83 37.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.531 0.783 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 565' ' ' LYS . . . . . 0.495 ' O ' ' C ' ' A' ' 566' ' ' MET . 0.0 OUTLIER -86.05 119.84 26.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.576 1.172 . . . . 0.0 109.318 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 566' ' ' MET . . . . . 0.714 ' HE2' ' CG2' ' A' ' 577' ' ' ILE . 0.3 OUTLIER -29.02 118.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 111.031 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 567' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 576' ' ' LYS . 0.1 OUTLIER -86.6 106.57 17.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 568' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 567' ' ' GLN . 0.1 OUTLIER -39.76 143.6 0.23 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.651 ' HB2' ' HB3' ' A' ' 576' ' ' LYS . . . -90.4 -151.18 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.78 2.6 11.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 571' ' ' ILE . . . . . 0.546 ' O ' ' CB ' ' A' ' 572' ' ' SER . 9.0 mt -78.75 -23.68 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 572' ' ' SER . . . . . 0.546 ' CB ' ' O ' ' A' ' 571' ' ' ILE . 1.8 t 88.46 108.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.001 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 90.61 -1.37 78.72 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -108.88 161.28 15.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 0.786 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 575' ' ' ALA . . . . . 0.652 ' HB1' ' HB3' ' A' ' 566' ' ' MET . . . -115.02 156.21 25.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 576' ' ' LYS . . . . . 0.651 ' HB3' ' HB2' ' A' ' 569' ' ' ALA . 0.4 OUTLIER -153.91 132.85 12.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 577' ' ' ILE . . . . . 1.041 HD13 ' O ' ' A' ' 577' ' ' ILE . 0.0 OUTLIER -130.42 146.82 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.342 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 578' ' ' THR . . . . . 0.498 HG22 ' HB3' ' A' ' 535' ' ' LYS . 5.3 m -127.12 132.99 50.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 110.431 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 579' ' ' VAL . . . . . 0.693 ' O ' HG22 ' A' ' 536' ' ' VAL . 44.1 t -129.82 130.83 66.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.247 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 580' ' ' ASP . . . . . 0.433 ' C ' HG23 ' A' ' 581' ' ' ILE . 3.2 t70 -79.75 150.23 30.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 581' ' ' ILE . . . . . 0.793 ' HB ' ' HB3' ' A' ' 584' ' ' ALA . 38.9 pt -152.88 48.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -53.34 -24.92 24.78 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.134 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -128.12 44.28 2.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.764 . . . . 0.0 110.009 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 584' ' ' ALA . . . . . 0.793 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -159.66 141.8 13.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.85 -5.14 17.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.996 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -143.06 138.54 30.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.309 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.847 HD13 ' C ' ' A' ' 587' ' ' LEU . 0.3 OUTLIER -128.97 143.68 50.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 588' ' ' GLU . . . . . 0.637 ' H ' HD22 ' A' ' 587' ' ' LEU . 1.7 pm0 -116.77 143.45 45.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 589' ' ' ALA . . . . . 0.52 ' HB2' ' HB3' ' A' ' 551' ' ' TYR . . . -139.57 150.38 44.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.138 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.897 ' O ' HG23 ' A' ' 549' ' ' ILE . . . -132.38 161.94 32.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 0.0 109.285 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 591' ' ' PHE . . . . . 0.597 ' CE1' ' CD2' ' A' ' 540' ' ' TYR . 86.5 m-85 -115.44 140.66 48.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 110.963 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 592' ' ' ASN . . . . . 0.419 ' HB3' ' CD2' ' A' ' 598' ' ' TRP . 11.5 p30 -159.14 135.21 8.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -81.94 -13.74 57.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 92.92 16.72 46.88 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -134.56 64.22 1.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 44.24 29.07 0.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -119.76 85.54 2.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 598' ' ' TRP . . . . . 0.419 ' CD2' ' HB3' ' A' ' 592' ' ' ASN . 58.4 m95 -101.31 136.65 40.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 107.989 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 605' ' ' ASN . . . . . 0.455 ' OD1' ' N ' ' A' ' 606' ' ' TYR . 11.1 p30 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 606' ' ' TYR . . . . . 0.655 ' CB ' ' CZ ' ' A' ' 608' ' ' PHE . 96.7 m-85 -129.63 161.76 29.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 111.038 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -114.5 121.06 42.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 608' ' ' PHE . . . . . 0.724 ' HE1' HD13 ' A' ' 626' ' ' ILE . 11.2 m-85 -129.74 150.46 51.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 8.5 t -111.21 166.9 10.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.014 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 610' ' ' THR . . . . . 0.745 ' HA ' HG12 ' A' ' 536' ' ' VAL . 68.5 p -47.57 170.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.374 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 105.65 -157.76 16.08 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 612' ' ' THR . . . . . 0.529 HG21 ' HA ' ' A' ' 630' ' ' ALA . 1.3 m -103.15 132.77 49.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.562 0.801 . . . . 0.0 110.424 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 613' ' ' SER . . . . . 0.736 ' HB3' HG13 ' A' ' 538' ' ' VAL . 0.1 OUTLIER -132.94 158.0 43.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 614' ' ' THR . . . . . 0.51 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 2.6 m -133.22 114.74 14.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 110.41 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 615' ' ' TYR . . . . . 0.639 ' CE1' ' CG1' ' A' ' 626' ' ' ILE . 0.1 OUTLIER -96.01 114.75 26.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 0.0 111.024 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 3.7 m -103.56 114.23 64.97 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.415 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 617' ' ' PRO . . . . . 0.544 ' HG3' ' CZ ' ' A' ' 540' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.181 0 O-C-N 124.468 1.772 . . . . 0.0 110.985 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 626' ' ' ILE . . . . . 0.741 HD12 ' H ' ' A' ' 626' ' ' ILE . 0.1 OUTLIER -118.1 125.42 74.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.73 128.57 55.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.265 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.78 146.51 39.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.397 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 118.48 141.99 6.83 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.529 ' HA ' HG21 ' A' ' 612' ' ' THR . . . -59.48 135.11 88.86 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.464 0.744 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 631' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 630' ' ' ALA . 18.2 Cg_endo -75.06 179.17 6.36 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.516 1.798 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 534' ' ' ASN . . . . . 0.881 ' HB3' HG21 ' A' ' 610' ' ' THR . 2.1 m-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 535' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 579' ' ' VAL . 8.8 mttp -146.9 150.35 35.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 536' ' ' VAL . . . . . 0.723 HG13 ' HA ' ' A' ' 610' ' ' THR . 0.2 OUTLIER -115.34 121.51 67.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 14.8 m -105.64 122.3 45.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.409 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 538' ' ' VAL . . . . . 0.419 ' HB ' HD12 ' A' ' 577' ' ' ILE . 2.5 t -123.28 130.43 74.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 539' ' ' TYR . . . . . 0.464 ' CB ' ' HG3' ' A' ' 631' ' ' PRO . 2.1 m-85 -106.79 119.78 40.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 540' ' ' TYR . . . . . 0.58 ' CE2' ' HG3' ' A' ' 617' ' ' PRO . 42.4 t80 -109.41 138.91 45.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -92.01 119.08 31.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.17 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 542' ' ' LYS . . . . . 0.579 ' CG ' ' HA3' ' A' ' 543' ' ' GLY . 18.2 ttmt -82.26 137.77 34.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 543' ' ' GLY . . . . . 0.579 ' HA3' ' CG ' ' A' ' 542' ' ' LYS . . . 149.23 -123.93 1.71 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.539 1.149 . . . . 0.0 111.05 0.004 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -138.7 -87.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.743 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 545' ' ' ASN . . . . . 0.505 ' O ' ' CB ' ' A' ' 546' ' ' SER . 64.6 m-80 -144.54 26.31 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 546' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 545' ' ' ASN . 1.4 m 86.3 70.08 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.983 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 142.27 27.6 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.53 1.805 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -77.28 145.73 37.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 549' ' ' ILE . . . . . 0.586 HG12 ' CE2' ' A' ' 551' ' ' TYR . 0.6 OUTLIER -116.79 142.06 32.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 550' ' ' HIS . . . . . 0.583 ' CE1' ' HB2' ' A' ' 561' ' ' ALA . 3.4 t-160 -130.86 118.17 20.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.619 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 551' ' ' TYR . . . . . 0.729 ' HB2' HD21 ' A' ' 587' ' ' LEU . 0.3 OUTLIER -127.41 160.6 30.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.948 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 552' ' ' ARG . . . . . 0.553 ' CZ ' ' NE1' ' A' ' 558' ' ' TRP . 0.5 OUTLIER -138.86 140.89 28.62 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 553' ' ' PRO . . . . . 0.504 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.4 Cg_endo -74.97 143.49 29.21 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.523 1.802 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 554' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 586' ' ' GLN . . . -72.97 59.57 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 149.97 38.46 0.03 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -146.09 -94.24 0.15 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 557' ' ' SER . . . . . 0.504 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 47.3 t 178.62 -171.2 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.77 . . . . 0.0 109.983 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 558' ' ' TRP . . . . . 0.553 ' NE1' ' CZ ' ' A' ' 552' ' ' ARG . 86.7 m95 -93.22 120.57 33.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 107.993 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 559' ' ' THR . . . . . 0.492 ' O ' ' CE1' ' A' ' 550' ' ' HIS . 19.9 m -54.16 168.99 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.348 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 560' ' ' ALA . . . . . 0.474 ' N ' HG22 ' A' ' 559' ' ' THR . . . -64.51 107.61 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 561' ' ' ALA . . . . . 0.583 ' HB2' ' CE1' ' A' ' 550' ' ' HIS . . . -70.21 133.72 87.46 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 562' ' ' PRO . . . . . 0.508 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.2 Cg_endo -74.95 146.84 87.79 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 121.033 -2.486 . . . . 0.0 110.992 -0.074 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 563' ' ' GLY . . . . . 0.508 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -41.99 -101.66 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 564' ' ' VAL . . . . . 0.535 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.8 t -136.86 157.68 36.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.474 0.749 . . . . 0.0 109.292 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 565' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 566' ' ' MET . 0.0 OUTLIER -86.96 120.53 28.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 566' ' ' MET . . . . . 0.624 ' HB3' ' HB1' ' A' ' 575' ' ' ALA . 0.9 OUTLIER -35.53 124.72 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.983 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 567' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 576' ' ' LYS . 1.6 mt-30 -91.33 110.71 22.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -48.32 133.91 15.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.5 ' HB2' ' HB3' ' A' ' 576' ' ' LYS . . . -73.69 -145.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -124.16 11.32 8.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 571' ' ' ILE . . . . . . . . . . . . . 19.0 mt -82.19 -86.8 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 166.96 91.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.038 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 94.9 8.52 59.13 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.443 1.089 . . . . 0.0 110.953 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -103.61 157.88 16.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 110.965 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 575' ' ' ALA . . . . . 0.624 ' HB1' ' HB3' ' A' ' 566' ' ' MET . . . -115.69 154.47 29.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 576' ' ' LYS . . . . . 0.5 ' HB3' ' HB2' ' A' ' 569' ' ' ALA . 1.0 OUTLIER -154.52 129.13 9.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 577' ' ' ILE . . . . . 1.056 HD13 ' O ' ' A' ' 577' ' ' ILE . 0.0 OUTLIER -126.37 145.54 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 578' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 3.7 m -127.11 130.56 50.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.386 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 579' ' ' VAL . . . . . 0.75 ' CG1' HD13 ' A' ' 587' ' ' LEU . 0.7 OUTLIER -130.63 132.05 64.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 580' ' ' ASP . . . . . 0.408 ' HA ' ' O ' ' A' ' 534' ' ' ASN . 5.1 t70 -93.5 148.29 22.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 581' ' ' ILE . . . . . 0.921 HD11 ' CG2' ' A' ' 610' ' ' THR . 2.7 pt -128.41 -36.05 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.373 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 582' ' ' GLY . . . . . 0.529 ' O ' ' CB ' ' A' ' 583' ' ' SER . . . 39.39 48.85 2.94 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 583' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 582' ' ' GLY . 0.4 OUTLIER 156.93 -51.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 0.756 . . . . 0.0 109.992 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 584' ' ' ALA . . . . . 0.858 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -65.19 146.09 55.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 71.3 m -112.72 1.18 15.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 110.023 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 586' ' ' GLN . . . . . 0.482 ' O ' ' CB ' ' A' ' 554' ' ' ALA . 19.6 mt-30 -151.3 137.84 18.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.75 HD13 ' CG1' ' A' ' 579' ' ' VAL . 4.2 tt -137.68 132.99 33.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 588' ' ' GLU . . . . . 0.427 ' O ' ' CA ' ' A' ' 551' ' ' TYR . 1.7 pm0 -97.25 142.53 29.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 589' ' ' ALA . . . . . 0.525 ' CB ' ' HB3' ' A' ' 551' ' ' TYR . . . -139.42 139.74 37.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -123.78 161.41 25.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.276 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 591' ' ' PHE . . . . . 0.58 ' CZ ' ' CD2' ' A' ' 615' ' ' TYR . 7.9 m-85 -118.57 128.83 54.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -146.77 136.09 22.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 593' ' ' ASP . . . . . 0.404 ' OD2' ' C ' ' A' ' 593' ' ' ASP . 0.0 OUTLIER -67.92 -18.67 64.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.308 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 105.48 19.25 10.68 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.503 1.127 . . . . 0.0 110.966 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -126.34 29.32 5.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 0.736 . . . . 0.0 109.349 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 73.11 17.39 4.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -101.4 79.17 1.94 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 598' ' ' TRP . . . . . 0.412 ' CZ3' ' HB3' ' A' ' 550' ' ' HIS . 9.4 m95 -90.13 126.4 35.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 107.977 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 606' ' ' TYR . . . . . 0.57 ' HB2' ' CE1' ' A' ' 608' ' ' PHE . 92.1 m-85 -127.84 137.76 52.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 4.3 mp -99.61 126.34 45.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 608' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 606' ' ' TYR . 0.4 OUTLIER -122.11 146.36 47.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 609' ' ' SER . . . . . 0.506 ' O ' HG13 ' A' ' 536' ' ' VAL . 20.9 t -102.51 166.24 10.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 610' ' ' THR . . . . . 0.921 ' CG2' HD11 ' A' ' 581' ' ' ILE . 57.3 p -54.97 162.9 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 110.41 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 120.51 -134.81 10.53 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 612' ' ' THR . . . . . 0.419 ' CG2' ' HA ' ' A' ' 630' ' ' ALA . 2.6 m -124.31 123.91 41.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 0.754 . . . . 0.0 110.403 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 11.5 m -139.03 157.72 45.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 614' ' ' THR . . . . . 0.51 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 30.3 m -133.58 125.26 28.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.365 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 615' ' ' TYR . . . . . 0.58 ' CD2' ' CZ ' ' A' ' 591' ' ' PHE . 0.1 OUTLIER -97.26 121.05 38.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 20.6 m -117.01 117.81 36.72 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.393 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 617' ' ' PRO . . . . . 0.58 ' HG3' ' CE2' ' A' ' 540' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.155 0 O-C-N 124.448 1.762 . . . . 0.0 110.993 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 67.5 p . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 626' ' ' ILE . . . . . 0.51 ' HA ' ' O ' ' A' ' 614' ' ' THR . 0.1 OUTLIER -121.92 130.25 74.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.62 125.8 54.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.18 146.54 41.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.424 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 114.43 143.55 8.31 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.544 1.153 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.419 ' HA ' ' CG2' ' A' ' 612' ' ' THR . . . -59.34 133.4 88.19 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.448 0.734 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 631' ' ' PRO . . . . . 0.464 ' HG3' ' CB ' ' A' ' 539' ' ' TYR . 18.3 Cg_endo -74.98 -179.94 5.48 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.489 1.784 . . . . 0.0 110.949 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.989 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 534' ' ' ASN . . . . . 0.566 ' HB3' HG21 ' A' ' 610' ' ' THR . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 535' ' ' LYS . . . . . 0.438 ' HA ' ' O ' ' A' ' 579' ' ' VAL . 0.3 OUTLIER -141.78 149.2 40.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 536' ' ' VAL . . . . . 0.658 HG13 ' O ' ' A' ' 609' ' ' SER . 1.6 t -115.56 128.23 72.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 16.0 m -102.13 127.39 49.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 1.8 t -126.79 129.96 71.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 539' ' ' TYR . . . . . 0.644 ' HB3' HG23 ' A' ' 614' ' ' THR . 0.7 OUTLIER -111.17 116.53 31.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 540' ' ' TYR . . . . . 0.585 ' CE2' ' HG3' ' A' ' 617' ' ' PRO . 50.6 t80 -112.0 138.61 48.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.969 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -86.96 117.24 25.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 542' ' ' LYS . . . . . 0.489 ' HA ' ' HA3' ' A' ' 543' ' ' GLY . 1.1 ttpt -86.95 142.62 27.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 543' ' ' GLY . . . . . 0.489 ' HA3' ' HA ' ' A' ' 542' ' ' LYS . . . 145.02 -130.63 3.94 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 0.032 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 544' ' ' PHE . . . . . 0.493 ' CD1' ' N ' ' A' ' 544' ' ' PHE . 4.4 m-85 -121.36 -132.58 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 0.759 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -111.79 -56.27 2.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 546' ' ' SER . . . . . 0.43 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 6.9 p -135.58 63.37 53.57 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 109.998 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 547' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.3 Cg_endo -75.05 141.19 26.19 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.519 1.8 . . . . 0.0 111.005 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 548' ' ' TYR . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 565' ' ' LYS . 7.9 m-85 -120.86 155.73 33.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 549' ' ' ILE . . . . . 0.832 HD13 ' O ' ' A' ' 564' ' ' VAL . 0.2 OUTLIER -129.8 140.9 47.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 550' ' ' HIS . . . . . 0.519 ' CE1' ' HB2' ' A' ' 561' ' ' ALA . 14.9 t-160 -120.8 115.33 23.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.631 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 551' ' ' TYR . . . . . 0.631 ' CE2' ' CG1' ' A' ' 549' ' ' ILE . 0.1 OUTLIER -129.66 160.51 33.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 552' ' ' ARG . . . . . 0.62 ' O ' HD12 ' A' ' 587' ' ' LEU . 0.6 OUTLIER -149.78 170.12 8.16 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.273 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 553' ' ' PRO . . . . . 0.564 ' O ' ' HG3' ' A' ' 552' ' ' ARG . 18.2 Cg_endo -75.08 155.76 42.56 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.543 1.812 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 554' ' ' ALA . . . . . 0.537 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -29.01 -86.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -124.11 94.27 0.48 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.464 1.102 . . . . 0.0 111.005 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -153.88 -86.86 0.06 OUTLIER Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 557' ' ' SER . . . . . 0.574 ' O ' ' HB2' ' A' ' 552' ' ' ARG . 14.4 t -150.34 -175.23 5.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 110.039 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 558' ' ' TRP . . . . . 0.589 ' CG ' ' HD3' ' A' ' 552' ' ' ARG . 66.5 m95 -119.33 140.59 50.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 108.006 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 559' ' ' THR . . . . . 0.434 HG22 ' H ' ' A' ' 560' ' ' ALA . 10.0 m -66.55 172.32 4.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.434 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 560' ' ' ALA . . . . . 0.434 ' H ' HG22 ' A' ' 559' ' ' THR . . . -71.08 107.22 4.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 561' ' ' ALA . . . . . 0.519 ' HB2' ' CE1' ' A' ' 550' ' ' HIS . . . -72.16 134.64 82.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 562' ' ' PRO . . . . . 0.519 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.1 Cg_endo -75.02 148.41 91.64 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 121.024 -2.49 . . . . 0.0 110.972 0.052 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 563' ' ' GLY . . . . . 0.519 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -44.46 -104.06 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 564' ' ' VAL . . . . . 0.832 ' O ' HD13 ' A' ' 549' ' ' ILE . 1.0 OUTLIER -136.23 158.14 38.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 565' ' ' LYS . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 548' ' ' TYR . 0.5 OUTLIER -85.21 117.95 24.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.307 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 566' ' ' MET . . . . . 0.653 ' HB3' ' HB1' ' A' ' 575' ' ' ALA . 3.5 mtp -36.63 136.21 0.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 567' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -100.65 115.79 31.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.293 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 568' ' ' ASP . . . . . 0.422 ' HA ' ' O ' ' A' ' 574' ' ' TYR . 0.0 OUTLIER -46.17 134.91 8.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.407 ' HB2' ' HB3' ' A' ' 576' ' ' LYS . . . -70.45 -143.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -126.02 6.73 7.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 571' ' ' ILE . . . . . 0.494 ' O ' ' CB ' ' A' ' 572' ' ' SER . 77.9 mt -80.97 -78.73 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 572' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 571' ' ' ILE . 0.5 OUTLIER 159.86 93.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.002 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 95.52 8.92 58.17 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.515 1.135 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 574' ' ' TYR . . . . . 0.422 ' O ' ' HA ' ' A' ' 568' ' ' ASP . 11.3 m-85 -103.77 159.85 15.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 0.771 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 575' ' ' ALA . . . . . 0.653 ' HB1' ' HB3' ' A' ' 566' ' ' MET . . . -117.15 150.44 38.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 576' ' ' LYS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 569' ' ' ALA . 0.3 OUTLIER -151.55 128.67 11.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 577' ' ' ILE . . . . . 0.891 HD12 ' N ' ' A' ' 578' ' ' THR . 0.2 OUTLIER -131.33 152.23 36.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 578' ' ' THR . . . . . 0.891 ' N ' HD12 ' A' ' 577' ' ' ILE . 35.8 m -127.44 140.27 52.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.463 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 579' ' ' VAL . . . . . 0.65 HG11 HD11 ' A' ' 587' ' ' LEU . 2.9 t -131.99 125.76 55.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 580' ' ' ASP . . . . . 0.518 ' O ' HG23 ' A' ' 581' ' ' ILE . 10.8 t0 -81.02 148.82 29.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 581' ' ' ILE . . . . . 0.949 ' HB ' ' HB3' ' A' ' 584' ' ' ALA . 45.8 pt -156.79 50.78 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -52.69 -19.14 6.21 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 1.2 m -131.42 45.8 2.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.766 . . . . 0.0 109.969 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 584' ' ' ALA . . . . . 0.949 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -162.09 143.6 10.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.82 -2.12 16.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.963 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 586' ' ' GLN . . . . . 0.411 ' O ' ' HB2' ' A' ' 554' ' ' ALA . 28.7 mt-30 -149.0 138.58 21.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.65 HD11 HG11 ' A' ' 579' ' ' VAL . 0.3 OUTLIER -138.11 137.9 38.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 588' ' ' GLU . . . . . 0.464 ' CG ' ' HG2' ' A' ' 552' ' ' ARG . 1.1 pm0 -100.91 142.48 32.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.261 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 589' ' ' ALA . . . . . 0.516 ' CB ' ' HB3' ' A' ' 551' ' ' TYR . . . -140.62 135.66 31.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.256 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -120.64 157.15 30.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 591' ' ' PHE . . . . . 0.548 ' CZ ' ' CG ' ' A' ' 615' ' ' TYR . 17.9 m-85 -119.16 127.1 53.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.975 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 592' ' ' ASN . . . . . 0.4 ' HA ' ' O ' ' A' ' 597' ' ' ASN . 2.7 p-10 -141.93 161.25 38.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.353 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 21.9 p-10 -84.82 -31.06 24.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . -177.02 -50.13 0.06 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 169.15 72.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 0.741 . . . . 0.0 109.263 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 174.88 -35.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 597' ' ' ASN . . . . . 0.4 ' O ' ' HA ' ' A' ' 592' ' ' ASN . 15.8 m120 -113.37 87.22 2.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 71.2 m95 -100.48 131.77 46.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 107.984 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 606' ' ' TYR . . . . . 0.883 ' C ' HD13 ' A' ' 607' ' ' LEU . 80.6 m-85 -124.09 162.24 23.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 110.998 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 607' ' ' LEU . . . . . 0.883 HD13 ' C ' ' A' ' 606' ' ' TYR . 0.0 OUTLIER -124.19 124.11 41.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 608' ' ' PHE . . . . . 0.591 ' CZ ' ' CB ' ' A' ' 606' ' ' TYR . 13.5 m-85 -128.89 145.71 51.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.048 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 609' ' ' SER . . . . . 0.658 ' O ' HG13 ' A' ' 536' ' ' VAL . 38.3 t -111.27 160.06 17.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.002 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 610' ' ' THR . . . . . 0.865 HG23 HD11 ' A' ' 581' ' ' ILE . 63.3 p -46.63 167.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.361 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 114.1 -136.83 13.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.107 . . . . 0.0 110.954 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 612' ' ' THR . . . . . 0.471 HG21 ' HA ' ' A' ' 630' ' ' ALA . 32.0 m -129.92 129.75 44.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 0.743 . . . . 0.0 110.399 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 1.1 t -142.16 156.94 45.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 614' ' ' THR . . . . . 0.644 HG23 ' HB3' ' A' ' 539' ' ' TYR . 18.9 m -133.89 119.78 19.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 110.365 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 615' ' ' TYR . . . . . 0.559 ' HA ' HG23 ' A' ' 626' ' ' ILE . 10.1 t80 -96.73 120.22 36.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 96.0 m -109.69 113.26 57.93 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.396 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 617' ' ' PRO . . . . . 0.585 ' HG3' ' CE2' ' A' ' 540' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.456 1.766 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 4.6 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.402 -0.222 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 626' ' ' ILE . . . . . 0.559 HG23 ' HA ' ' A' ' 615' ' ' TYR . 0.1 OUTLIER -120.44 127.95 75.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 1.4 tpt85 -108.87 127.91 54.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.62 147.36 37.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.433 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 113.23 141.94 8.16 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.454 1.096 . . . . 0.0 110.972 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.471 ' HA ' HG21 ' A' ' 612' ' ' THR . . . -59.9 126.04 82.26 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.462 0.743 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 631' ' ' PRO . . . . . 0.482 ' HG2' ' CD2' ' A' ' 539' ' ' TYR . 18.4 Cg_endo -74.94 155.11 43.19 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.493 1.786 . . . . 0.0 111.006 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.007 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 534' ' ' ASN . . . . . 0.565 ' HB3' HG21 ' A' ' 610' ' ' THR . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 535' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 579' ' ' VAL . 11.0 mtmm -146.83 151.45 37.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 536' ' ' VAL . . . . . 0.554 HG13 ' HA ' ' A' ' 610' ' ' THR . 0.2 OUTLIER -120.7 113.59 40.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 29.3 m -105.31 121.46 43.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.406 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 538' ' ' VAL . . . . . 0.62 HG12 ' CD1' ' A' ' 577' ' ' ILE . 7.3 p -127.15 141.26 46.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 539' ' ' TYR . . . . . 0.793 ' CE2' HD11 ' A' ' 571' ' ' ILE . 2.8 m-85 -107.98 129.94 55.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 540' ' ' TYR . . . . . 0.527 ' CD2' ' SD ' ' A' ' 566' ' ' MET . 4.7 t80 -113.2 140.06 48.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -90.8 113.31 25.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.361 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 542' ' ' LYS . . . . . 0.484 ' HG3' ' CA ' ' A' ' 543' ' ' GLY . 0.4 OUTLIER -81.24 140.53 34.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 543' ' ' GLY . . . . . 0.484 ' CA ' ' HG3' ' A' ' 542' ' ' LYS . . . 147.54 -136.5 6.09 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 111.043 -0.04 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -120.52 -119.82 0.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 0.0 111.0 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -124.47 -59.33 1.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 546' ' ' SER . . . . . 0.478 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 58.3 m -137.17 61.01 31.21 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.014 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 547' ' ' PRO . . . . . 0.478 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.1 Cg_endo -75.03 147.69 34.16 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 110.973 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -122.77 154.02 38.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 549' ' ' ILE . . . . . 0.596 HG21 ' HG2' ' A' ' 566' ' ' MET . 0.7 OUTLIER -125.28 143.78 37.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 550' ' ' HIS . . . . . 0.601 ' CE1' ' HB2' ' A' ' 561' ' ' ALA . 10.7 t-160 -128.98 117.23 20.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.622 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 551' ' ' TYR . . . . . 0.583 ' CD2' HG12 ' A' ' 549' ' ' ILE . 0.2 OUTLIER -128.18 160.93 30.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 552' ' ' ARG . . . . . 0.478 ' HG3' ' N ' ' A' ' 553' ' ' PRO . 0.0 OUTLIER -144.23 152.17 53.51 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 553' ' ' PRO . . . . . 0.498 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.4 Cg_endo -74.98 153.63 42.01 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.474 1.776 . . . . 0.0 111.031 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 554' ' ' ALA . . . . . 0.468 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -34.26 -70.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -126.06 87.36 0.35 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.467 1.105 . . . . 0.0 110.97 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -149.88 -92.5 0.1 OUTLIER Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 557' ' ' SER . . . . . 0.498 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 39.3 t -170.09 179.68 3.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 0.798 . . . . 0.0 109.974 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 558' ' ' TRP . . . . . 0.448 ' CD1' ' HD3' ' A' ' 552' ' ' ARG . 55.0 m95 -103.31 126.17 50.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 107.965 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 559' ' ' THR . . . . . 0.54 HG22 ' H ' ' A' ' 560' ' ' ALA . 51.4 m -60.47 175.12 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.41 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 560' ' ' ALA . . . . . 0.54 ' H ' HG22 ' A' ' 559' ' ' THR . . . -66.82 107.93 2.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 561' ' ' ALA . . . . . 0.601 ' HB2' ' CE1' ' A' ' 550' ' ' HIS . . . -72.42 133.7 82.85 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 562' ' ' PRO . . . . . 0.514 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.4 Cg_endo -74.98 146.06 85.62 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.984 -2.507 . . . . 0.0 111.025 -0.065 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 563' ' ' GLY . . . . . 0.514 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -37.53 -99.84 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 564' ' ' VAL . . . . . 0.534 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.6 t -137.7 157.54 33.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.547 0.792 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 565' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 566' ' ' MET . 12.1 tptm -87.22 108.01 18.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 566' ' ' MET . . . . . 0.612 ' HB3' ' HB1' ' A' ' 575' ' ' ALA . 0.2 OUTLIER -32.09 130.0 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 111.04 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 567' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -98.24 129.06 44.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.287 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.0 146.21 1.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.345 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.803 ' HB2' ' HB3' ' A' ' 576' ' ' LYS . . . -87.52 -147.83 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 570' ' ' GLU . . . . . 0.459 ' CG ' ' O ' ' A' ' 570' ' ' GLU . 1.4 tt0 -122.68 32.93 5.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 571' ' ' ILE . . . . . 0.793 HD11 ' CE2' ' A' ' 539' ' ' TYR . 4.2 mt -109.24 -78.17 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 572' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 571' ' ' ILE . 0.5 OUTLIER 160.15 98.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.014 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 86.73 7.6 78.15 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -103.79 160.17 15.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 0.775 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 575' ' ' ALA . . . . . 0.612 ' HB1' ' HB3' ' A' ' 566' ' ' MET . . . -116.24 153.94 30.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 576' ' ' LYS . . . . . 0.803 ' HB3' ' HB2' ' A' ' 569' ' ' ALA . 0.0 OUTLIER -156.0 132.85 10.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 577' ' ' ILE . . . . . 1.065 HD13 ' O ' ' A' ' 577' ' ' ILE . 0.0 OUTLIER -134.57 147.72 29.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 578' ' ' THR . . . . . 0.47 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 84.8 m -122.62 137.51 54.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.402 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 579' ' ' VAL . . . . . 0.918 ' CG1' HD13 ' A' ' 587' ' ' LEU . 0.8 OUTLIER -130.6 131.84 64.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 580' ' ' ASP . . . . . 0.454 ' C ' HG23 ' A' ' 581' ' ' ILE . 3.2 t0 -82.39 150.79 26.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 581' ' ' ILE . . . . . 0.873 HD11 HG23 ' A' ' 610' ' ' THR . 36.9 pt -154.76 58.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.232 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 582' ' ' GLY . . . . . 0.484 ' C ' ' O ' ' A' ' 581' ' ' ILE . . . -30.82 -79.21 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.47 1.107 . . . . 0.0 111.022 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.57 -32.44 28.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 0.781 . . . . 0.0 109.984 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 584' ' ' ALA . . . . . 0.771 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -60.13 133.16 55.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.01 -8.38 14.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 110.012 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.08 137.73 31.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.918 HD13 ' CG1' ' A' ' 579' ' ' VAL . 3.8 tt -137.66 131.92 32.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 588' ' ' GLU . . . . . 0.513 ' HA ' ' O ' ' A' ' 606' ' ' TYR . 2.0 pt-20 -97.39 142.81 28.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 589' ' ' ALA . . . . . 0.606 ' HB3' ' HE2' ' A' ' 608' ' ' PHE . . . -135.09 145.44 47.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -126.07 161.66 27.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 591' ' ' PHE . . . . . 0.563 ' CE2' ' HG3' ' A' ' 617' ' ' PRO . 0.8 OUTLIER -119.66 128.61 53.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 111.051 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 592' ' ' ASN . . . . . 0.418 ' CB ' ' CD2' ' A' ' 598' ' ' TRP . 6.8 p-10 -144.7 135.96 25.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -75.01 -12.39 60.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 78.39 10.86 85.87 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -121.47 56.76 1.04 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 0.778 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 59.82 28.86 18.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -131.05 95.26 3.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.254 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 598' ' ' TRP . . . . . 0.418 ' CD2' ' CB ' ' A' ' 592' ' ' ASN . 27.9 m95 -120.97 137.74 54.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 107.97 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.991 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 606' ' ' TYR . . . . . 0.607 ' HB2' ' CZ ' ' A' ' 608' ' ' PHE . 5.1 m-85 -130.69 136.02 48.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 11.4 mt -99.31 140.74 33.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 608' ' ' PHE . . . . . 0.607 ' CZ ' ' HB2' ' A' ' 606' ' ' TYR . 25.4 m-85 -131.28 146.59 52.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 4.1 t -111.96 155.35 23.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.96 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 610' ' ' THR . . . . . 0.873 HG23 HD11 ' A' ' 581' ' ' ILE . 22.9 p -38.34 154.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.366 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 122.54 -148.33 16.94 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 612' ' ' THR . . . . . 0.615 HG21 ' HB2' ' A' ' 630' ' ' ALA . 1.8 m -111.63 124.91 53.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 0.796 . . . . 0.0 110.408 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 613' ' ' SER . . . . . 0.468 ' C ' HG23 ' A' ' 538' ' ' VAL . 0.5 OUTLIER -128.75 158.85 37.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.99 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 614' ' ' THR . . . . . 0.503 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 25.1 m -132.91 122.5 24.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.404 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 615' ' ' TYR . . . . . 0.464 ' CD1' ' CE1' ' A' ' 591' ' ' PHE . 0.2 OUTLIER -102.05 121.14 41.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 111.013 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 55.6 m -131.56 89.83 38.99 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.417 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 617' ' ' PRO . . . . . 0.563 ' HG3' ' CE2' ' A' ' 591' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.439 1.757 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 7.0 p . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 626' ' ' ILE . . . . . 0.503 ' HA ' ' O ' ' A' ' 614' ' ' THR . 0.1 OUTLIER -120.08 125.97 74.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.65 122.81 48.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.419 1.075 . . . . 0.0 110.286 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.24 150.31 37.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.376 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 108.53 141.26 9.49 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.615 ' HB2' HG21 ' A' ' 612' ' ' THR . . . -59.6 115.92 14.52 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.465 0.744 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 163.94 34.31 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.519 1.799 . . . . 0.0 111.019 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.999 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 534' ' ' ASN . . . . . 0.594 ' HB3' HG21 ' A' ' 610' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 535' ' ' LYS . . . . . 0.47 ' HB3' ' CG2' ' A' ' 578' ' ' THR . 4.3 mtpt -142.32 147.46 36.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 536' ' ' VAL . . . . . 0.697 HG22 ' HA ' ' A' ' 610' ' ' THR . 1.9 t -115.09 134.62 57.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 37.7 m -100.57 128.75 46.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.4 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 1.8 t -126.47 129.43 71.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 539' ' ' TYR . . . . . 0.497 ' HB3' HG23 ' A' ' 614' ' ' THR . 0.3 OUTLIER -117.48 118.9 33.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.993 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 540' ' ' TYR . . . . . 0.45 ' CD1' ' N ' ' A' ' 541' ' ' LYS . 2.1 t80 -117.74 138.42 52.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 541' ' ' LYS . . . . . 0.45 ' N ' ' CD1' ' A' ' 540' ' ' TYR . 9.6 ttpt -93.55 114.62 27.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 542' ' ' LYS . . . . . 0.459 ' HA ' ' HA3' ' A' ' 543' ' ' GLY . 2.6 ttpt -84.19 142.6 30.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 543' ' ' GLY . . . . . 0.459 ' HA3' ' HA ' ' A' ' 542' ' ' LYS . . . 144.2 -130.13 3.87 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -0.028 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 544' ' ' PHE . . . . . 0.446 ' CD1' ' N ' ' A' ' 544' ' ' PHE . 7.5 m-85 -112.95 -119.13 0.3 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 0.755 . . . . 0.0 110.95 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -117.54 -52.45 2.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 546' ' ' SER . . . . . 0.446 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 65.3 p -162.31 62.72 1.37 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.986 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 547' ' ' PRO . . . . . 0.446 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.4 Cg_endo -75.05 158.72 41.86 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.485 1.782 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 548' ' ' TYR . . . . . 0.513 ' CD1' ' HB2' ' A' ' 562' ' ' PRO . 2.6 m-85 -111.22 162.36 15.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 549' ' ' ILE . . . . . 0.638 HG21 ' HG2' ' A' ' 566' ' ' MET . 0.2 OUTLIER -123.19 139.06 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 550' ' ' HIS . . . . . 0.605 ' CE1' ' O ' ' A' ' 559' ' ' THR . 3.4 t-160 -127.01 113.98 17.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.559 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 551' ' ' TYR . . . . . 0.822 ' CE1' ' HB1' ' A' ' 589' ' ' ALA . 10.1 m-30 -113.76 164.71 13.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 552' ' ' ARG . . . . . 0.609 ' HB3' ' CZ3' ' A' ' 558' ' ' TRP . 0.0 OUTLIER -149.3 137.64 11.9 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 553' ' ' PRO . . . . . 0.554 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.2 Cg_endo -75.01 159.49 41.27 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.527 1.804 . . . . 0.0 110.982 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 554' ' ' ALA . . . . . 0.502 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -32.76 -70.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -134.79 83.85 0.28 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.544 1.153 . . . . 0.0 111.022 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -142.43 -90.23 0.14 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 557' ' ' SER . . . . . 0.554 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 18.1 t -161.69 -177.34 5.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.997 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 558' ' ' TRP . . . . . 0.609 ' CZ3' ' HB3' ' A' ' 552' ' ' ARG . 78.1 m95 -107.97 111.48 23.59 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 559' ' ' THR . . . . . 0.605 ' O ' ' CE1' ' A' ' 550' ' ' HIS . 32.5 p -32.74 143.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.426 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 560' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -55.41 106.93 0.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 561' ' ' ALA . . . . . 0.486 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -64.81 131.74 95.25 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 562' ' ' PRO . . . . . 0.513 ' HB2' ' CD1' ' A' ' 548' ' ' TYR . 18.5 Cg_endo -74.96 141.67 72.47 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.976 -2.51 . . . . 0.0 111.037 -0.076 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 563' ' ' GLY . . . . . 0.473 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -41.37 -98.49 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 1.5 t -135.15 156.49 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 109.309 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 565' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 566' ' ' MET . 0.0 OUTLIER -92.36 109.22 20.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.167 . . . . 0.0 109.329 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 566' ' ' MET . . . . . 0.638 ' HG2' HG21 ' A' ' 549' ' ' ILE . 0.0 OUTLIER -37.31 156.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 567' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 576' ' ' LYS . 0.3 OUTLIER -124.48 123.52 40.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.327 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 568' ' ' ASP . . . . . 0.417 ' HA ' ' O ' ' A' ' 574' ' ' TYR . 0.0 OUTLIER -51.18 131.98 28.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -67.13 -145.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -119.81 8.15 11.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 571' ' ' ILE . . . . . 0.515 HG22 ' N ' ' A' ' 572' ' ' SER . 35.1 mt -85.64 -97.07 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 572' ' ' SER . . . . . 0.515 ' N ' HG22 ' A' ' 571' ' ' ILE . 1.0 OUTLIER 178.85 93.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.044 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 96.43 9.57 56.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 574' ' ' TYR . . . . . 0.417 ' O ' ' HA ' ' A' ' 568' ' ' ASP . 14.4 m-85 -103.23 159.27 15.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 0.806 . . . . 0.0 110.995 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 575' ' ' ALA . . . . . 0.57 ' HB1' ' SD ' ' A' ' 566' ' ' MET . . . -118.83 151.62 37.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 576' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 567' ' ' GLN . 0.0 OUTLIER -154.57 137.33 15.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 577' ' ' ILE . . . . . 0.98 HD12 ' N ' ' A' ' 578' ' ' THR . 0.2 OUTLIER -146.4 152.51 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 578' ' ' THR . . . . . 0.98 ' N ' HD12 ' A' ' 577' ' ' ILE . 41.9 m -121.45 143.07 49.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.38 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 579' ' ' VAL . . . . . 0.904 HG23 HD11 ' A' ' 577' ' ' ILE . 41.3 t -130.91 123.47 54.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 580' ' ' ASP . . . . . 0.468 ' O ' HG23 ' A' ' 581' ' ' ILE . 9.1 t0 -82.81 149.62 27.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 581' ' ' ILE . . . . . 0.993 ' HB ' ' HB3' ' A' ' 584' ' ' ALA . 30.0 pt -154.98 56.83 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -55.24 -16.8 9.85 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.533 1.146 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.11 49.39 2.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 0.743 . . . . 0.0 110.026 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 584' ' ' ALA . . . . . 0.993 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -164.15 141.96 7.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.68 -3.55 13.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.04 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 586' ' ' GLN . . . . . 0.66 ' HB3' HD22 ' A' ' 607' ' ' LEU . 14.3 mt-30 -147.44 138.03 23.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.339 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.5 HD21 ' HB3' ' A' ' 551' ' ' TYR . 2.8 tt -146.75 126.28 13.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 588' ' ' GLU . . . . . 0.518 ' HA ' ' O ' ' A' ' 606' ' ' TYR . 1.3 pm0 -90.68 143.58 26.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 589' ' ' ALA . . . . . 0.822 ' HB1' ' CE1' ' A' ' 551' ' ' TYR . . . -127.29 134.84 49.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -121.21 160.88 22.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 591' ' ' PHE . . . . . 0.546 ' CE2' ' HG3' ' A' ' 617' ' ' PRO . 7.6 m-85 -115.99 129.23 56.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.1 . . . . 0.0 110.955 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 592' ' ' ASN . . . . . 0.406 ' O ' ' O ' ' A' ' 548' ' ' TYR . 2.7 p-10 -139.87 136.78 34.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -67.1 -31.59 72.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 594' ' ' GLY . . . . . 0.466 ' O ' ' CB ' ' A' ' 595' ' ' ASN . . . -177.58 -40.76 0.06 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.458 1.099 . . . . 0.0 111.065 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 595' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 594' ' ' GLY . 0.5 OUTLIER 158.46 80.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 0.758 . . . . 0.0 109.313 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 166.93 -39.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -114.13 106.49 14.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 18.2 m95 -111.46 123.94 51.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 108.034 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 605' ' ' ASN . . . . . 0.59 ' ND2' ' N ' ' A' ' 605' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 606' ' ' TYR . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 608' ' ' PHE . 82.3 m-85 -128.31 164.22 23.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 607' ' ' LEU . . . . . 0.66 HD22 ' HB3' ' A' ' 586' ' ' GLN . 13.5 mt -117.84 128.24 54.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 608' ' ' PHE . . . . . 0.691 ' HE1' HD13 ' A' ' 626' ' ' ILE . 23.9 m-85 -133.05 145.71 51.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 609' ' ' SER . . . . . 0.475 ' O ' HG13 ' A' ' 536' ' ' VAL . 19.8 t -111.8 165.26 12.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 610' ' ' THR . . . . . 0.737 HG23 HD11 ' A' ' 581' ' ' ILE . 73.6 p -41.0 163.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.398 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 117.88 -136.64 12.56 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 612' ' ' THR . . . . . . . . . . . . . 2.7 m -129.32 135.8 49.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 110.366 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 94.6 p -142.37 157.87 44.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 110.007 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 614' ' ' THR . . . . . 0.497 HG23 ' HB3' ' A' ' 539' ' ' TYR . 4.1 m -134.18 114.95 13.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.16 . . . . 0.0 110.4 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 615' ' ' TYR . . . . . 0.411 ' HA ' HG23 ' A' ' 626' ' ' ILE . 0.1 OUTLIER -97.32 117.28 31.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 90.2 m -119.05 87.29 33.91 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.393 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 617' ' ' PRO . . . . . 0.546 ' HG3' ' CE2' ' A' ' 591' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.514 1.797 . . . . 0.0 111.034 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 12.8 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 626' ' ' ILE . . . . . 0.691 HD13 ' HE1' ' A' ' 608' ' ' PHE . 0.2 OUTLIER -118.03 125.53 74.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.73 123.14 48.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.306 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.27 147.85 37.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 110.358 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 110.77 142.02 8.99 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -59.51 121.97 60.95 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.448 0.734 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 631' ' ' PRO . . . . . 0.491 ' HG2' ' CD2' ' A' ' 539' ' ' TYR . 18.3 Cg_endo -75.0 158.43 42.22 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.506 1.793 . . . . 0.0 111.02 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.045 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 534' ' ' ASN . . . . . 0.604 ' N ' HD21 ' A' ' 534' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 535' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 579' ' ' VAL . 5.9 mtmp? -142.27 146.04 34.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 536' ' ' VAL . . . . . 0.991 HG21 HD13 ' A' ' 587' ' ' LEU . 5.9 m -115.16 121.08 66.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 94.7 m -102.44 124.11 47.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.36 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 538' ' ' VAL . . . . . 0.434 ' O ' ' HA ' ' A' ' 576' ' ' LYS . 14.2 t -125.2 138.09 55.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 539' ' ' TYR . . . . . 0.442 ' CE2' ' CB ' ' A' ' 569' ' ' ALA . 1.8 m-85 -116.93 121.73 42.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 540' ' ' TYR . . . . . 0.455 ' CE1' ' O ' ' A' ' 541' ' ' LYS . 2.6 t80 -118.51 139.76 50.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 111.021 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 541' ' ' LYS . . . . . 0.455 ' O ' ' CE1' ' A' ' 540' ' ' TYR . 0.2 OUTLIER -88.22 114.49 24.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 542' ' ' LYS . . . . . 0.484 ' HG3' ' CA ' ' A' ' 543' ' ' GLY . 2.6 ttpt -85.66 142.27 29.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 543' ' ' GLY . . . . . 0.484 ' CA ' ' HG3' ' A' ' 542' ' ' LYS . . . 146.62 -130.72 3.75 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.504 1.128 . . . . 0.0 111.028 0.022 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 544' ' ' PHE . . . . . 0.486 ' CD1' ' N ' ' A' ' 544' ' ' PHE . 5.5 m-85 -118.84 -128.44 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 0.778 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -114.64 -59.4 2.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 546' ' ' SER . . . . . 0.445 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 2.4 m -137.04 62.04 37.45 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.984 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 547' ' ' PRO . . . . . 0.445 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.3 Cg_endo -75.01 145.07 30.96 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.53 1.805 . . . . 0.0 111.043 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -119.34 146.64 45.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.981 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 549' ' ' ILE . . . . . 0.595 HG12 ' CD2' ' A' ' 551' ' ' TYR . 0.4 OUTLIER -116.85 143.53 26.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 15.2 t-160 -128.62 118.17 22.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.607 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 551' ' ' TYR . . . . . 0.595 ' CD2' HG12 ' A' ' 549' ' ' ILE . 0.4 OUTLIER -130.25 160.66 33.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 111.015 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 552' ' ' ARG . . . . . 0.491 ' HG3' ' N ' ' A' ' 553' ' ' PRO . 0.3 OUTLIER -138.59 153.6 72.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.336 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 553' ' ' PRO . . . . . 0.565 ' O ' ' C ' ' A' ' 554' ' ' ALA . 18.2 Cg_endo -75.04 153.55 41.65 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.52 1.8 . . . . 0.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 554' ' ' ALA . . . . . 0.565 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -27.38 -74.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -129.9 84.41 0.32 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 111.022 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -141.99 -91.58 0.17 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 557' ' ' SER . . . . . 0.481 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 30.4 t -164.62 179.97 6.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 0.778 . . . . 0.0 110.009 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 558' ' ' TRP . . . . . 0.44 ' NE1' ' HD3' ' A' ' 552' ' ' ARG . 62.3 m95 -106.98 114.49 28.6 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 559' ' ' THR . . . . . 0.494 HG22 ' H ' ' A' ' 560' ' ' ALA . 21.5 m -46.66 173.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.375 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 560' ' ' ALA . . . . . 0.494 ' H ' HG22 ' A' ' 559' ' ' THR . . . -72.08 107.86 4.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 561' ' ' ALA . . . . . 0.516 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -67.47 134.55 92.93 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 562' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 561' ' ' ALA . 18.4 Cg_endo -74.99 148.45 91.78 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.985 -2.506 . . . . 0.0 111.01 -0.022 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 563' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -43.23 -100.31 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.46 1.1 . . . . 0.0 111.031 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 564' ' ' VAL . . . . . 0.519 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.8 t -135.93 157.92 38.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.489 0.758 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 565' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 566' ' ' MET . 7.2 tptp -86.19 115.83 24.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 566' ' ' MET . . . . . 0.615 ' SD ' ' HB1' ' A' ' 575' ' ' ALA . 0.1 OUTLIER -33.85 149.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 567' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 568' ' ' ASP . 15.0 mm-40 -118.13 110.22 17.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 568' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 567' ' ' GLN . 0.1 OUTLIER -37.0 144.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.546 ' HB2' ' HB3' ' A' ' 576' ' ' LYS . . . -85.77 -150.19 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -120.26 10.1 11.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.317 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 571' ' ' ILE . . . . . 0.562 HD12 ' HB3' ' A' ' 632' ' ' SER . 36.9 mm -82.56 -88.25 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 170.92 94.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.026 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 89.93 9.79 65.49 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.451 1.094 . . . . 0.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -103.68 158.35 16.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 0.763 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 575' ' ' ALA . . . . . 0.615 ' HB1' ' SD ' ' A' ' 566' ' ' MET . . . -115.94 151.87 34.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 576' ' ' LYS . . . . . 0.546 ' HB3' ' HB2' ' A' ' 569' ' ' ALA . 12.1 ptmt -153.38 131.12 11.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 577' ' ' ILE . . . . . 0.949 HD12 ' N ' ' A' ' 578' ' ' THR . 0.2 OUTLIER -128.63 150.41 34.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.247 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 578' ' ' THR . . . . . 0.949 ' N ' HD12 ' A' ' 577' ' ' ILE . 3.7 m -128.29 136.81 51.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.42 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 579' ' ' VAL . . . . . 0.786 HG23 HD11 ' A' ' 577' ' ' ILE . 97.5 t -130.93 127.84 61.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 580' ' ' ASP . . . . . 0.594 ' O ' HG23 ' A' ' 581' ' ' ILE . 0.2 OUTLIER -79.83 148.92 31.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 581' ' ' ILE . . . . . 0.902 HG21 HD12 ' A' ' 587' ' ' LEU . 16.6 pt -158.33 64.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 582' ' ' GLY . . . . . 0.536 ' O ' ' CB ' ' A' ' 583' ' ' SER . . . -68.08 53.31 0.41 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.552 1.157 . . . . 0.0 111.049 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 583' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 582' ' ' GLY . 0.5 OUTLIER 155.36 43.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 0.729 . . . . 0.0 110.034 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 584' ' ' ALA . . . . . 0.873 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -153.49 143.05 21.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 34.5 p -113.62 2.0 15.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.037 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -153.04 138.46 17.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.271 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.991 HD13 HG21 ' A' ' 536' ' ' VAL . 4.2 tt -135.85 133.83 38.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 588' ' ' GLU . . . . . 0.531 ' N ' HD23 ' A' ' 587' ' ' LEU . 38.3 tt0 -99.5 145.01 27.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.273 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 589' ' ' ALA . . . . . 0.415 ' CB ' ' HB3' ' A' ' 551' ' ' TYR . . . -142.21 144.51 33.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.865 ' HB2' ' OD1' ' A' ' 605' ' ' ASN . . . -131.48 163.16 28.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 591' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -116.4 127.51 54.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 592' ' ' ASN . . . . . 0.483 ' HB3' ' CE3' ' A' ' 598' ' ' TRP . 7.3 p30 -144.32 135.76 25.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -60.22 -54.0 50.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 594' ' ' GLY . . . . . 0.483 ' O ' ' CB ' ' A' ' 595' ' ' ASN . . . 178.36 40.06 0.06 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.133 . . . . 0.0 110.973 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 595' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 594' ' ' GLY . 6.9 t-20 80.5 81.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 596' ' ' ASN . . . . . 0.423 ' CB ' ' O ' ' A' ' 595' ' ' ASN . 0.4 OUTLIER 162.13 -28.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.249 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -139.53 109.14 6.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 598' ' ' TRP . . . . . 0.483 ' CE3' ' HB3' ' A' ' 592' ' ' ASN . 19.9 m95 -116.76 134.82 54.33 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 605' ' ' ASN . . . . . 0.865 ' OD1' ' HB2' ' A' ' 590' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 606' ' ' TYR . . . . . 0.647 ' CG ' HD11 ' A' ' 626' ' ' ILE . 56.6 m-85 -130.31 147.68 52.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.098 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 3.3 mp -103.2 130.19 50.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 608' ' ' PHE . . . . . 0.556 ' CD1' ' O ' ' A' ' 587' ' ' LEU . 0.0 OUTLIER -128.78 135.97 49.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 111.0 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.08 167.16 19.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 0.0 110.007 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 610' ' ' THR . . . . . 0.84 ' HA ' HG12 ' A' ' 536' ' ' VAL . 34.3 p -51.82 165.59 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.413 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 113.21 -142.32 17.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.504 1.127 . . . . 0.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 612' ' ' THR . . . . . 0.596 HG21 ' CA ' ' A' ' 630' ' ' ALA . 19.6 m -113.24 131.95 55.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.75 . . . . 0.0 110.45 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 14.6 m -142.27 157.05 45.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.001 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 614' ' ' THR . . . . . 0.642 ' O ' HG22 ' A' ' 626' ' ' ILE . 23.8 m -133.41 136.03 44.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 110.421 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 615' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -120.98 113.7 20.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 44.4 m -117.53 109.72 41.56 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.34 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.134 0 O-C-N 124.483 1.781 . . . . 0.0 111.003 179.954 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 10.2 p . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.418 -0.215 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 626' ' ' ILE . . . . . 0.647 HD11 ' CG ' ' A' ' 606' ' ' TYR . 0.1 OUTLIER -119.36 136.25 57.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.342 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -123.95 121.79 36.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.92 150.66 35.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.407 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 99.63 143.87 15.3 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.588 1.18 . . . . 0.0 110.966 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.596 ' CA ' HG21 ' A' ' 612' ' ' THR . . . -59.03 117.33 20.53 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.473 0.749 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 631' ' ' PRO . . . . . 0.471 ' HG3' ' CG2' ' A' ' 614' ' ' THR . 18.3 Cg_endo -74.99 171.52 18.16 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.479 1.779 . . . . 0.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 632' ' ' SER . . . . . 0.562 ' HB3' HD12 ' A' ' 571' ' ' ILE . 12.4 m . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 110.006 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 534' ' ' ASN . . . . . 0.513 ' CB ' HG21 ' A' ' 610' ' ' THR . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 535' ' ' LYS . . . . . 0.412 ' HB3' HG22 ' A' ' 578' ' ' THR . 8.5 mtmt -145.56 145.65 31.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 536' ' ' VAL . . . . . 0.757 HG22 ' O ' ' A' ' 579' ' ' VAL . 0.3 OUTLIER -115.41 113.3 43.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 16.8 m -101.03 123.41 45.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.431 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 538' ' ' VAL . . . . . 0.458 ' HB ' HD12 ' A' ' 577' ' ' ILE . 2.0 t -126.26 128.53 71.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 539' ' ' TYR . . . . . 0.547 ' CE1' ' HD2' ' A' ' 576' ' ' LYS . 3.5 m-85 -103.09 130.33 50.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 540' ' ' TYR . . . . . 0.612 ' CE1' ' O ' ' A' ' 541' ' ' LYS . 2.2 t80 -118.31 139.69 50.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 111.055 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 541' ' ' LYS . . . . . 0.612 ' O ' ' CE1' ' A' ' 540' ' ' TYR . 4.6 ttpt -91.25 123.75 34.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 542' ' ' LYS . . . . . 0.44 ' HG3' ' CA ' ' A' ' 543' ' ' GLY . 4.0 ttpt -80.41 138.4 36.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 543' ' ' GLY . . . . . 0.44 ' CA ' ' HG3' ' A' ' 542' ' ' LYS . . . 153.77 -128.43 2.4 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.117 . . . . 0.0 110.999 0.016 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -146.48 -88.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.744 . . . . 0.0 111.062 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 545' ' ' ASN . . . . . 0.512 ' O ' ' CB ' ' A' ' 546' ' ' SER . 18.6 m-80 -141.89 23.64 2.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.227 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 546' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 545' ' ' ASN . 1.9 t 87.19 72.87 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 158.21 42.07 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.553 1.817 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -95.41 144.52 25.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 549' ' ' ILE . . . . . 0.597 HG12 ' CD2' ' A' ' 551' ' ' TYR . 0.5 OUTLIER -116.56 142.88 28.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 550' ' ' HIS . . . . . 0.504 ' CE1' ' HB2' ' A' ' 561' ' ' ALA . 16.8 t-160 -129.38 117.05 19.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.597 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 551' ' ' TYR . . . . . 0.597 ' CD2' HG12 ' A' ' 549' ' ' ILE . 0.5 OUTLIER -129.14 161.21 30.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 552' ' ' ARG . . . . . 0.474 ' CZ ' ' HA2' ' A' ' 555' ' ' GLY . 0.2 OUTLIER -142.19 153.0 62.72 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 553' ' ' PRO . . . . . 0.723 ' O ' ' C ' ' A' ' 554' ' ' ALA . 18.4 Cg_endo -74.99 135.47 19.14 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.464 1.771 . . . . 0.0 111.051 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 554' ' ' ALA . . . . . 0.723 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -0.11 81.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 555' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 553' ' ' PRO . . . 33.57 70.94 0.12 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 556' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 553' ' ' PRO . . . -125.62 -94.51 0.97 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 557' ' ' SER . . . . . 0.43 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 0.0 OUTLIER -113.75 139.14 49.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 0.0 110.032 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 558' ' ' TRP . . . . . 0.44 ' NE1' ' HD3' ' A' ' 552' ' ' ARG . 55.3 m95 -97.57 103.32 15.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 108.022 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 559' ' ' THR . . . . . 0.416 ' O ' ' O ' ' A' ' 558' ' ' TRP . 39.0 m -43.09 167.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 110.396 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -61.75 107.75 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 561' ' ' ALA . . . . . 0.504 ' HB2' ' CE1' ' A' ' 550' ' ' HIS . . . -70.05 133.32 87.94 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 562' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 561' ' ' ALA . 18.3 Cg_endo -74.98 144.62 81.54 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.039 -2.484 . . . . 0.0 110.982 -0.025 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 563' ' ' GLY . . . . . 0.487 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -38.2 -98.23 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 564' ' ' VAL . . . . . 0.509 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.6 t -136.88 157.71 36.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 0.751 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 565' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 566' ' ' MET . 0.0 OUTLIER -86.91 120.88 28.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 566' ' ' MET . . . . . 0.674 ' HB3' ' HB1' ' A' ' 575' ' ' ALA . 4.2 mmt -32.16 119.84 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 567' ' ' GLN . . . . . 0.451 ' O ' ' O ' ' A' ' 576' ' ' LYS . 0.2 OUTLIER -87.94 116.86 26.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -42.15 146.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -88.33 -147.45 0.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -125.91 7.79 7.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.306 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 571' ' ' ILE . . . . . . . . . . . . . 6.1 mm -80.09 -85.64 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 169.1 93.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.984 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 90.59 9.15 64.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.444 1.09 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.95 157.22 17.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 0.742 . . . . 0.0 111.001 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 575' ' ' ALA . . . . . 0.674 ' HB1' ' HB3' ' A' ' 566' ' ' MET . . . -118.11 155.24 30.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 576' ' ' LYS . . . . . 0.547 ' HD2' ' CE1' ' A' ' 539' ' ' TYR . 1.8 pttm -154.1 146.96 24.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 577' ' ' ILE . . . . . 1.047 HD13 ' O ' ' A' ' 577' ' ' ILE . 0.0 OUTLIER -134.82 147.73 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 578' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 3.7 m -127.16 130.98 50.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.422 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 579' ' ' VAL . . . . . 0.757 ' O ' HG22 ' A' ' 536' ' ' VAL . 2.7 t -129.88 128.95 65.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 580' ' ' ASP . . . . . 0.439 ' HA ' ' O ' ' A' ' 534' ' ' ASN . 0.1 OUTLIER -79.24 141.29 37.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 581' ' ' ILE . . . . . 0.861 HD11 HG23 ' A' ' 610' ' ' THR . 42.4 pt -143.82 54.09 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 582' ' ' GLY . . . . . 0.494 ' O ' ' CB ' ' A' ' 583' ' ' SER . . . -68.14 58.87 0.4 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 583' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 582' ' ' GLY . 2.9 p 159.84 -24.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 110.019 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 584' ' ' ALA . . . . . 0.686 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -97.53 140.84 31.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.45 -3.69 25.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.01 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 586' ' ' GLN . . . . . 0.902 ' HB3' HD12 ' A' ' 607' ' ' LEU . 3.8 mt-30 -151.22 138.31 19.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.744 HD11 HG11 ' A' ' 579' ' ' VAL . 1.1 tt -133.29 133.84 43.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 588' ' ' GLU . . . . . 0.454 ' HA ' ' O ' ' A' ' 606' ' ' TYR . 1.7 pm0 -94.57 142.71 27.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 589' ' ' ALA . . . . . 0.504 ' CB ' ' HB3' ' A' ' 551' ' ' TYR . . . -138.48 138.97 38.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 109.255 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -121.25 161.61 21.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.263 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 591' ' ' PHE . . . . . 0.756 ' CD1' ' CZ ' ' A' ' 615' ' ' TYR . 3.5 m-85 -121.97 129.46 52.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 592' ' ' ASN . . . . . 0.493 ' HB3' ' CE3' ' A' ' 598' ' ' TRP . 8.5 p30 -142.29 142.52 32.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -63.04 -30.45 71.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 594' ' ' GLY . . . . . 0.451 ' O ' ' ND2' ' A' ' 595' ' ' ASN . . . 169.08 -37.54 0.2 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 595' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 594' ' ' GLY . 1.1 m-80 159.89 79.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 6.5 t30 173.2 -35.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.346 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -127.08 88.56 2.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 598' ' ' TRP . . . . . 0.493 ' CE3' ' HB3' ' A' ' 592' ' ' ASN . 65.2 m95 -97.01 123.78 40.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 108.015 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.956 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 606' ' ' TYR . . . . . 0.649 ' CD1' HD11 ' A' ' 626' ' ' ILE . 89.7 m-85 -121.62 130.14 53.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 607' ' ' LEU . . . . . 0.902 HD12 ' HB3' ' A' ' 586' ' ' GLN . 4.3 mm? -100.62 124.78 46.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 608' ' ' PHE . . . . . 0.583 ' CE1' ' HB3' ' A' ' 606' ' ' TYR . 13.2 m-85 -122.44 148.67 44.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 33.3 t -111.17 170.69 7.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.0 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 610' ' ' THR . . . . . 0.861 HG23 HD11 ' A' ' 581' ' ' ILE . 40.8 p -55.84 161.58 2.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 110.393 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 116.1 -132.81 10.42 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 612' ' ' THR . . . . . 0.562 HG21 ' CA ' ' A' ' 630' ' ' ALA . 24.4 m -128.34 130.29 47.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 0.784 . . . . 0.0 110.409 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 613' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 538' ' ' VAL . 53.3 m -140.99 157.7 44.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.038 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 614' ' ' THR . . . . . 0.511 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 3.2 m -133.55 113.42 12.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.388 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 615' ' ' TYR . . . . . 0.756 ' CZ ' ' CD1' ' A' ' 591' ' ' PHE . 0.0 OUTLIER -97.34 114.15 25.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 75.7 m -118.5 111.11 38.29 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 0.0 110.418 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.481 1.779 . . . . 0.0 111.017 179.955 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 10.8 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 626' ' ' ILE . . . . . 0.649 HD11 ' CD1' ' A' ' 606' ' ' TYR . 0.1 OUTLIER -119.97 125.19 74.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.263 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.51 123.56 49.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.93 148.91 37.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.376 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 105.58 142.17 11.0 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.562 ' CA ' HG21 ' A' ' 612' ' ' THR . . . -59.84 121.14 55.89 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 631' ' ' PRO . . . . . 0.457 ' HG3' ' CG2' ' A' ' 614' ' ' THR . 18.5 Cg_endo -74.97 154.51 42.68 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.446 1.761 . . . . 0.0 111.046 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 80.8 p . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.983 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 534' ' ' ASN . . . . . 0.734 ' HB3' HG21 ' A' ' 610' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 535' ' ' LYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 579' ' ' VAL . 25.6 mtpt -143.24 152.22 41.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 536' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 578' ' ' THR . 1.0 OUTLIER -115.26 126.03 72.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 93.6 m -107.11 125.66 51.36 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.135 . . . . 0.0 110.396 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 538' ' ' VAL . . . . . 0.46 ' HB ' HD12 ' A' ' 577' ' ' ILE . 2.1 t -126.6 132.41 70.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 539' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -101.67 138.42 38.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 540' ' ' TYR . . . . . 0.739 ' CD1' ' CE2' ' A' ' 615' ' ' TYR . 14.6 t80 -127.01 139.36 53.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -89.67 113.46 24.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 542' ' ' LYS . . . . . 0.524 ' CE ' ' N ' ' A' ' 543' ' ' GLY . 0.0 OUTLIER -87.0 126.9 35.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.25 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 543' ' ' GLY . . . . . 0.524 ' N ' ' CE ' ' A' ' 542' ' ' LYS . . . 162.23 -126.51 1.57 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 0.0 111.037 -0.058 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -130.54 -46.7 1.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 0.776 . . . . 0.0 111.01 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 4.6 p30 177.21 -43.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 546' ' ' SER . . . . . 0.45 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 0.7 OUTLIER 179.94 62.19 0.11 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.024 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 547' ' ' PRO . . . . . 0.45 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.1 Cg_endo -75.02 146.9 33.13 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.494 1.786 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 548' ' ' TYR . . . . . 0.433 ' CE2' ' HB3' ' A' ' 565' ' ' LYS . 3.6 m-85 -105.33 162.09 13.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 111.051 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 549' ' ' ILE . . . . . 0.57 HG12 ' CE2' ' A' ' 551' ' ' TYR . 0.5 OUTLIER -126.82 142.27 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.343 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -130.9 116.2 17.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.563 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 551' ' ' TYR . . . . . 0.673 ' HB2' HD21 ' A' ' 587' ' ' LEU . 0.2 OUTLIER -120.03 160.41 22.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 552' ' ' ARG . . . . . 0.578 ' HD3' ' CD1' ' A' ' 558' ' ' TRP . 0.3 OUTLIER -138.71 132.61 16.35 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.284 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 553' ' ' PRO . . . . . 0.527 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.3 Cg_endo -75.02 158.62 42.03 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.524 1.802 . . . . 0.0 110.963 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -50.85 -22.81 2.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.26 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -55.93 -18.0 17.4 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 556' ' ' GLY . . . . . 0.416 ' C ' ' HD2' ' A' ' 552' ' ' ARG . . . 84.71 27.72 34.26 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 557' ' ' SER . . . . . 0.527 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 0.5 OUTLIER -104.13 150.6 24.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 0.779 . . . . 0.0 109.995 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 558' ' ' TRP . . . . . 0.578 ' CD1' ' HD3' ' A' ' 552' ' ' ARG . 86.0 m95 -124.09 99.35 6.2 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 52.8 m -44.75 169.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.422 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 560' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -57.41 108.81 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 561' ' ' ALA . . . . . 0.474 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -77.07 132.62 70.36 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.448 1.093 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 562' ' ' PRO . . . . . 0.522 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.3 Cg_endo -75.01 145.02 82.77 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.942 -2.524 . . . . 0.0 111.015 -0.057 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 563' ' ' GLY . . . . . 0.522 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -36.63 -99.31 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.44 1.088 . . . . 0.0 110.977 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 564' ' ' VAL . . . . . 0.551 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 2.8 t -137.97 159.68 33.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 565' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 566' ' ' MET . 0.0 OUTLIER -86.13 122.85 30.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.338 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 566' ' ' MET . . . . . 0.787 ' HE3' HG21 ' A' ' 577' ' ' ILE . 0.0 OUTLIER -34.21 128.42 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 111.02 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 567' ' ' GLN . . . . . 0.458 ' O ' ' O ' ' A' ' 576' ' ' LYS . 1.3 mm-40 -96.45 112.31 24.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 568' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 567' ' ' GLN . 0.2 OUTLIER -38.17 144.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.416 ' HB2' ' HB3' ' A' ' 576' ' ' LYS . . . -91.29 -143.5 0.18 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -129.43 9.78 5.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 571' ' ' ILE . . . . . 0.401 ' O ' ' CB ' ' A' ' 572' ' ' SER . 46.9 mm -79.31 -84.69 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 572' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 571' ' ' ILE . 0.3 OUTLIER 166.3 91.78 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.142 . . . . 0.0 110.01 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 91.77 6.93 65.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.551 1.157 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 574' ' ' TYR . . . . . 0.404 ' CE2' ' OG ' ' A' ' 632' ' ' SER . 0.2 OUTLIER -103.91 155.7 18.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 0.737 . . . . 0.0 110.995 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 575' ' ' ALA . . . . . . . . . . . . . . . -115.75 157.12 24.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 576' ' ' LYS . . . . . 0.458 ' O ' ' O ' ' A' ' 567' ' ' GLN . 6.3 ptmt -153.94 140.36 18.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 577' ' ' ILE . . . . . 1.062 HD13 ' O ' ' A' ' 577' ' ' ILE . 0.0 OUTLIER -132.25 147.68 32.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 578' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 68.8 m -123.05 135.43 54.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.418 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 579' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 535' ' ' LYS . 3.5 t -130.08 118.88 45.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 580' ' ' ASP . . . . . 0.443 ' OD2' ' N ' ' A' ' 581' ' ' ILE . 3.7 t0 -86.02 148.87 25.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 581' ' ' ILE . . . . . 0.953 ' HB ' ' HB3' ' A' ' 584' ' ' ALA . 1.6 pt -128.07 -34.26 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . 82.71 -53.49 4.84 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.433 1.083 . . . . 0.0 111.0 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 583' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 584' ' ' ALA . 0.4 OUTLIER -129.39 -46.99 1.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 110.021 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 584' ' ' ALA . . . . . 0.953 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -37.67 140.1 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 89.1 p -113.39 5.81 16.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -146.48 138.62 24.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.261 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.673 HD21 ' HB2' ' A' ' 551' ' ' TYR . 2.4 tt -149.11 134.85 18.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 588' ' ' GLU . . . . . 0.46 ' CB ' ' O ' ' A' ' 606' ' ' TYR . 2.6 pm0 -99.41 143.06 30.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 589' ' ' ALA . . . . . . . . . . . . . . . -131.7 134.07 45.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.408 ' C ' ' CD1' ' A' ' 591' ' ' PHE . . . -118.85 159.47 23.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 591' ' ' PHE . . . . . 0.569 ' CE2' ' CD1' ' A' ' 615' ' ' TYR . 0.3 OUTLIER -119.15 127.64 53.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.972 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 592' ' ' ASN . . . . . 0.428 ' HB2' ' NE1' ' A' ' 598' ' ' TRP . 10.2 p-10 -147.43 137.52 23.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 -75.73 -29.33 58.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 106.15 46.55 1.15 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -162.66 -40.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 171.94 -29.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -59.58 88.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 598' ' ' TRP . . . . . 0.428 ' NE1' ' HB2' ' A' ' 592' ' ' ASN . 11.7 m95 -113.81 146.82 39.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 107.981 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.97 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 606' ' ' TYR . . . . . 0.46 ' O ' ' CB ' ' A' ' 588' ' ' GLU . 20.7 m-85 -105.1 162.02 13.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 3.8 mt -130.5 120.84 24.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 608' ' ' PHE . . . . . 0.727 ' HZ ' HD13 ' A' ' 626' ' ' ILE . 28.3 m-85 -141.44 157.31 45.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 8.6 t -110.78 164.05 13.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.045 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 610' ' ' THR . . . . . 0.789 ' CG2' HD11 ' A' ' 581' ' ' ILE . 57.1 p -39.15 158.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.382 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 129.47 -137.24 9.43 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.463 1.102 . . . . 0.0 111.046 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 612' ' ' THR . . . . . 0.518 HG21 ' CA ' ' A' ' 630' ' ' ALA . 91.8 m -126.04 131.3 52.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.766 . . . . 0.0 110.421 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 613' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 538' ' ' VAL . 3.9 p -142.25 157.8 44.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.04 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 614' ' ' THR . . . . . 0.497 HG23 ' HG3' ' A' ' 631' ' ' PRO . 12.1 m -134.66 114.36 12.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.42 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 615' ' ' TYR . . . . . 0.739 ' CE2' ' CD1' ' A' ' 540' ' ' TYR . 0.0 OUTLIER -99.69 114.63 27.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 111.022 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 85.7 m -117.58 109.73 41.45 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.415 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 617' ' ' PRO . . . . . 0.465 ' HD3' ' CE1' ' A' ' 615' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.419 1.747 . . . . 0.0 110.969 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 12.6 p . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 626' ' ' ILE . . . . . 0.727 HD13 ' HZ ' ' A' ' 608' ' ' PHE . 0.1 OUTLIER -120.49 126.66 75.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -115.58 128.59 56.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.03 147.38 38.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 110.378 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 112.24 139.91 7.81 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.518 ' CA ' HG21 ' A' ' 612' ' ' THR . . . -61.31 119.82 49.63 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.486 0.757 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 631' ' ' PRO . . . . . 0.497 ' HG3' HG23 ' A' ' 614' ' ' THR . 18.3 Cg_endo -75.03 -177.18 3.3 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.483 1.78 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 632' ' ' SER . . . . . 0.404 ' OG ' ' CE2' ' A' ' 574' ' ' TYR . 12.6 m . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.021 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 534' ' ' ASN . . . . . 0.599 ' HB3' HG21 ' A' ' 610' ' ' THR . 1.4 m-20 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 535' ' ' LYS . . . . . 0.456 ' HB3' HG22 ' A' ' 578' ' ' THR . 0.4 OUTLIER -145.81 150.49 36.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 109.337 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 536' ' ' VAL . . . . . 0.653 HG13 ' HA ' ' A' ' 610' ' ' THR . 0.2 OUTLIER -118.78 120.39 63.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 22.9 m -102.58 121.99 43.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 110.414 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 1.7 t -127.07 131.56 70.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 539' ' ' TYR . . . . . 0.571 ' CD2' ' HG2' ' A' ' 631' ' ' PRO . 3.5 m-85 -106.31 128.44 53.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 540' ' ' TYR . . . . . 0.616 ' HB2' ' CD2' ' A' ' 615' ' ' TYR . 2.3 t80 -119.32 139.64 51.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 541' ' ' LYS . . . . . 0.43 ' N ' ' CD1' ' A' ' 540' ' ' TYR . 1.5 tttt -92.11 112.37 24.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 542' ' ' LYS . . . . . 0.523 ' HA ' ' HA3' ' A' ' 543' ' ' GLY . 0.0 OUTLIER -104.86 143.88 32.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 543' ' ' GLY . . . . . 0.523 ' HA3' ' HA ' ' A' ' 542' ' ' LYS . . . 137.37 -132.6 6.02 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.461 1.101 . . . . 0.0 110.97 0.029 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 544' ' ' PHE . . . . . 0.431 ' CZ ' ' OD2' ' A' ' 593' ' ' ASP . 30.7 m-85 -91.8 -168.25 1.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 110.979 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -95.29 6.03 50.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 12.1 p 171.46 65.24 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.98 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 144.81 30.57 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.526 1.803 . . . . 0.0 111.019 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -124.13 148.66 47.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.019 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 549' ' ' ILE . . . . . 0.642 HG21 ' SD ' ' A' ' 566' ' ' MET . 1.2 tt -126.69 144.09 38.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 550' ' ' HIS . . . . . 0.604 ' CE1' ' HB2' ' A' ' 561' ' ' ALA . 14.0 t-160 -129.74 116.3 18.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.58 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 551' ' ' TYR . . . . . 0.576 ' CD2' HG12 ' A' ' 549' ' ' ILE . 0.3 OUTLIER -127.79 161.86 28.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.961 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 552' ' ' ARG . . . . . 0.978 ' O ' HD12 ' A' ' 587' ' ' LEU . 0.6 OUTLIER -139.61 153.97 70.83 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.274 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 553' ' ' PRO . . . . . 0.707 ' O ' ' C ' ' A' ' 554' ' ' ALA . 18.3 Cg_endo -74.95 133.76 17.06 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.508 1.793 . . . . 0.0 111.007 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 554' ' ' ALA . . . . . 0.707 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . 3.56 76.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 555' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 553' ' ' PRO . . . 34.04 72.94 0.09 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 556' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 553' ' ' PRO . . . -128.06 -91.47 0.71 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 557' ' ' SER . . . . . 0.449 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 0.0 OUTLIER -114.69 138.26 50.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 0.787 . . . . 0.0 110.011 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 558' ' ' TRP . . . . . 0.56 ' CE2' ' HD2' ' A' ' 552' ' ' ARG . 43.6 m95 -91.02 105.88 18.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 107.973 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 559' ' ' THR . . . . . 0.414 ' O ' ' O ' ' A' ' 558' ' ' TRP . 18.1 m -44.04 169.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.37 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 560' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -63.38 109.34 1.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 561' ' ' ALA . . . . . 0.604 ' HB2' ' CE1' ' A' ' 550' ' ' HIS . . . -74.5 133.86 76.82 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 562' ' ' PRO . . . . . 0.504 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.1 Cg_endo -75.0 147.25 88.82 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.995 -0.038 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 563' ' ' GLY . . . . . 0.504 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -41.75 -101.64 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.536 1.147 . . . . 0.0 111.022 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 564' ' ' VAL . . . . . 0.516 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.9 t -136.19 158.79 38.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.511 0.771 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 565' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 566' ' ' MET . 0.7 OUTLIER -88.01 116.31 26.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 566' ' ' MET . . . . . 0.642 ' SD ' HG21 ' A' ' 549' ' ' ILE . 0.0 OUTLIER -32.89 130.46 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 110.966 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 567' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 576' ' ' LYS . 4.0 mt-30 -93.14 117.9 30.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.356 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -46.39 134.07 9.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.478 ' HB2' ' HB3' ' A' ' 576' ' ' LYS . . . -76.31 -151.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -123.98 28.93 6.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 571' ' ' ILE . . . . . . . . . . . . . 4.4 mm -105.28 -84.92 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 168.67 105.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.997 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 79.86 9.7 86.46 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -105.21 157.66 17.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 575' ' ' ALA . . . . . 0.505 ' HB1' ' HG2' ' A' ' 566' ' ' MET . . . -120.59 157.93 28.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 576' ' ' LYS . . . . . 0.478 ' HB3' ' HB2' ' A' ' 569' ' ' ALA . 0.0 OUTLIER -156.03 145.1 20.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 577' ' ' ILE . . . . . 1.059 HD13 ' O ' ' A' ' 577' ' ' ILE . 0.0 OUTLIER -142.26 147.82 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 578' ' ' THR . . . . . 0.456 HG22 ' HB3' ' A' ' 535' ' ' LYS . 3.6 m -123.24 132.55 54.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.117 . . . . 0.0 110.374 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 579' ' ' VAL . . . . . 0.643 ' O ' HG23 ' A' ' 536' ' ' VAL . 58.6 t -129.92 127.54 63.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 580' ' ' ASP . . . . . 0.444 ' C ' HG23 ' A' ' 581' ' ' ILE . 28.7 t70 -80.15 150.0 30.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 581' ' ' ILE . . . . . 0.867 HD11 HG23 ' A' ' 610' ' ' THR . 39.9 pt -153.99 51.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -54.4 -18.68 10.52 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.85 45.27 2.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 0.776 . . . . 0.0 109.974 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 584' ' ' ALA . . . . . 0.831 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -163.49 141.2 7.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 32.9 p -110.26 0.45 18.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 110.007 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -149.13 138.43 21.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.978 HD12 ' O ' ' A' ' 552' ' ' ARG . 2.1 tp -137.1 130.95 31.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 588' ' ' GLU . . . . . 0.444 ' HA ' ' O ' ' A' ' 606' ' ' TYR . 1.7 pm0 -97.76 142.3 29.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 589' ' ' ALA . . . . . 0.581 ' HB1' HD11 ' A' ' 549' ' ' ILE . . . -138.79 139.18 38.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.427 ' C ' ' CD1' ' A' ' 591' ' ' PHE . . . -120.59 163.99 17.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 591' ' ' PHE . . . . . 0.809 ' CZ ' ' CD1' ' A' ' 615' ' ' TYR . 0.4 OUTLIER -123.57 127.81 48.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 592' ' ' ASN . . . . . 0.422 ' HB3' ' CD2' ' A' ' 598' ' ' TRP . 5.4 p30 -155.61 135.75 12.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 593' ' ' ASP . . . . . 0.431 ' OD2' ' CZ ' ' A' ' 544' ' ' PHE . 0.5 OUTLIER -71.61 -17.78 62.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 100.61 -9.86 58.95 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.52 1.137 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -94.94 41.28 1.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 0.776 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 29.8 m120 63.28 23.22 13.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 597' ' ' ASN . . . . . 0.412 ' O ' ' HA ' ' A' ' 592' ' ' ASN . 0.7 OUTLIER -112.29 91.06 3.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 109.273 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 598' ' ' TRP . . . . . 0.422 ' CD2' ' HB3' ' A' ' 592' ' ' ASN . 19.6 m95 -104.19 152.52 22.06 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.979 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 606' ' ' TYR . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 608' ' ' PHE . 34.3 m-85 -130.28 162.29 29.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.992 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 5.1 mp -115.95 124.33 50.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 608' ' ' PHE . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 606' ' ' TYR . 7.8 m-85 -122.53 147.13 46.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 42.5 t -111.4 164.62 12.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.998 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 610' ' ' THR . . . . . 0.867 HG23 HD11 ' A' ' 581' ' ' ILE . 32.4 p -48.38 157.84 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 110.333 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 117.67 -157.35 15.17 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.432 1.082 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 612' ' ' THR . . . . . . . . . . . . . 2.4 m -104.59 128.3 52.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 0.74 . . . . 0.0 110.38 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 67.7 p -142.62 157.94 44.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.979 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 614' ' ' THR . . . . . 0.547 HG23 ' CB ' ' A' ' 539' ' ' TYR . 2.3 m -133.51 113.0 11.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.417 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 615' ' ' TYR . . . . . 0.809 ' CD1' ' CZ ' ' A' ' 591' ' ' PHE . 0.0 OUTLIER -97.16 115.22 27.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 89.5 m -116.7 110.72 41.98 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.359 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 617' ' ' PRO . . . . . 0.524 ' HD3' ' CE1' ' A' ' 615' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.197 0 O-C-N 124.473 1.775 . . . . 0.0 110.986 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 9.4 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 626' ' ' ILE . . . . . 0.519 HG23 ' HA ' ' A' ' 615' ' ' TYR . 0.1 OUTLIER -120.94 126.86 75.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -111.27 122.66 48.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.309 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.71 148.07 37.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.437 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 112.46 143.76 9.03 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.467 1.104 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -59.68 128.36 86.3 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 631' ' ' PRO . . . . . 0.571 ' HG2' ' CD2' ' A' ' 539' ' ' TYR . 18.5 Cg_endo -74.96 162.97 36.33 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.532 1.807 . . . . 0.0 111.018 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 80.5 p . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.997 179.953 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 534' ' ' ASN . . . . . 0.421 ' O ' ' HA ' ' A' ' 580' ' ' ASP . 1.3 m-20 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 535' ' ' LYS . . . . . 0.453 ' HB3' ' CG2' ' A' ' 578' ' ' THR . 39.9 mtmt -145.38 160.9 40.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 536' ' ' VAL . . . . . 0.704 HG12 ' O ' ' A' ' 579' ' ' VAL . 6.3 p -128.81 134.88 63.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 21.7 m -101.55 124.14 46.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.381 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 538' ' ' VAL . . . . . 0.469 ' HB ' HD12 ' A' ' 577' ' ' ILE . 1.4 t -126.98 127.12 69.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 539' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -111.83 125.79 54.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 540' ' ' TYR . . . . . 0.926 ' HB3' ' HB3' ' A' ' 575' ' ' ALA . 5.4 t80 -107.68 140.55 40.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 111.009 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 541' ' ' LYS . . . . . 0.525 ' O ' ' CE1' ' A' ' 540' ' ' TYR . 12.3 tttt -96.11 134.03 39.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 542' ' ' LYS . . . . . 0.518 ' CG ' ' O ' ' A' ' 544' ' ' PHE . 21.3 ttmt -97.96 109.8 22.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 543' ' ' GLY . . . . . 0.489 ' HA3' ' O ' ' A' ' 541' ' ' LYS . . . 92.23 176.28 42.05 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 0.085 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 544' ' ' PHE . . . . . 0.518 ' O ' ' CG ' ' A' ' 542' ' ' LYS . 72.0 m-85 -50.24 -174.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 0.753 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 545' ' ' ASN . . . . . 0.484 ' H ' ' ND2' ' A' ' 545' ' ' ASN . 1.5 p30 -72.86 -56.15 5.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 78.5 p -177.76 76.61 0.23 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.043 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 141.74 26.98 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.503 1.791 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 548' ' ' TYR . . . . . 0.501 ' CZ ' ' HB2' ' A' ' 565' ' ' LYS . 7.7 m-85 -79.74 142.75 35.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 549' ' ' ILE . . . . . 0.938 HD11 ' CE2' ' A' ' 551' ' ' TYR . 0.0 OUTLIER -117.48 140.21 41.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.345 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -124.47 120.28 31.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.613 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 551' ' ' TYR . . . . . 0.938 ' CE2' HD11 ' A' ' 549' ' ' ILE . 0.1 OUTLIER -134.3 160.71 37.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 111.0 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 552' ' ' ARG . . . . . 0.76 ' C ' HD12 ' A' ' 587' ' ' LEU . 0.0 OUTLIER -145.8 164.05 27.79 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 553' ' ' PRO . . . . . 0.476 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.5 Cg_endo -74.93 160.39 40.41 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.534 1.808 . . . . 0.0 111.014 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 554' ' ' ALA . . . . . 0.457 ' O ' ' NH2' ' A' ' 552' ' ' ARG . . . -35.56 -67.29 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -137.1 83.45 0.26 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.121 . . . . 0.0 110.947 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -142.61 -92.87 0.18 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 557' ' ' SER . . . . . 0.492 ' O ' ' HB2' ' A' ' 552' ' ' ARG . 37.6 t -162.53 169.25 20.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 0.745 . . . . 0.0 109.993 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 558' ' ' TRP . . . . . 0.523 ' CD2' ' HB3' ' A' ' 552' ' ' ARG . 76.0 m95 -100.05 143.64 30.02 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 559' ' ' THR . . . . . 0.54 HG22 ' H ' ' A' ' 560' ' ' ALA . 93.0 m -71.22 175.45 5.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 560' ' ' ALA . . . . . 0.54 ' H ' HG22 ' A' ' 559' ' ' THR . . . -68.1 108.01 2.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 561' ' ' ALA . . . . . 0.509 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -66.47 133.99 94.42 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 562' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 561' ' ' ALA . 18.4 Cg_endo -74.92 146.85 87.81 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 121.047 -2.48 . . . . 0.0 111.001 -0.11 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 563' ' ' GLY . . . . . 0.482 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -37.37 -97.83 0.01 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.454 1.096 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 564' ' ' VAL . . . . . 0.486 HG23 ' CE1' ' A' ' 551' ' ' TYR . 1.4 t -136.88 158.02 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.455 0.738 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 565' ' ' LYS . . . . . 0.501 ' HB2' ' CZ ' ' A' ' 548' ' ' TYR . 1.0 OUTLIER -94.89 111.65 23.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 566' ' ' MET . . . . . 0.543 ' CE ' HG23 ' A' ' 577' ' ' ILE . 0.1 OUTLIER -35.87 129.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 567' ' ' GLN . . . . . 0.444 ' O ' ' O ' ' A' ' 576' ' ' LYS . 0.0 OUTLIER -102.52 124.8 48.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.276 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.94 150.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.518 ' HB2' ' HB3' ' A' ' 576' ' ' LYS . . . -88.27 -139.63 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -131.73 5.81 4.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 571' ' ' ILE . . . . . 0.41 HG22 ' N ' ' A' ' 572' ' ' SER . 23.4 mt -81.27 -87.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 572' ' ' SER . . . . . 0.41 ' N ' HG22 ' A' ' 571' ' ' ILE . 0.3 OUTLIER 171.63 94.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.977 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 91.27 8.26 64.64 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -103.44 159.37 15.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.476 0.751 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 575' ' ' ALA . . . . . 0.926 ' HB3' ' HB3' ' A' ' 540' ' ' TYR . . . -116.3 154.89 29.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 576' ' ' LYS . . . . . 0.518 ' HB3' ' HB2' ' A' ' 569' ' ' ALA . 8.0 ptmt -153.67 134.39 13.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.243 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 577' ' ' ILE . . . . . 1.039 HD13 ' O ' ' A' ' 577' ' ' ILE . 0.0 OUTLIER -144.07 147.33 19.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 578' ' ' THR . . . . . 0.534 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 99.5 m -118.72 139.24 51.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.349 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 579' ' ' VAL . . . . . 0.704 ' O ' HG12 ' A' ' 536' ' ' VAL . 85.2 t -131.93 135.17 59.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 580' ' ' ASP . . . . . 0.421 ' HA ' ' O ' ' A' ' 534' ' ' ASN . 6.1 t70 -92.31 148.34 22.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 581' ' ' ILE . . . . . 1.029 HD11 ' CG2' ' A' ' 610' ' ' THR . 1.1 pt -112.44 -21.41 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . 38.6 88.66 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 70.12 59.98 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 0.747 . . . . 0.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 584' ' ' ALA . . . . . 0.985 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -164.24 145.83 8.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.18 6.35 16.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.959 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -151.36 138.98 19.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.317 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.76 HD12 ' C ' ' A' ' 552' ' ' ARG . 0.0 OUTLIER -146.95 137.91 23.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 588' ' ' GLU . . . . . 0.45 ' O ' ' HA ' ' A' ' 551' ' ' TYR . 3.1 pm0 -93.26 143.76 25.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 0.0 110.34 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 589' ' ' ALA . . . . . 0.56 ' HB3' ' CE2' ' A' ' 608' ' ' PHE . . . -138.88 146.99 41.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -133.3 162.75 30.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 591' ' ' PHE . . . . . 0.808 ' CE1' ' CD1' ' A' ' 615' ' ' TYR . 1.0 OUTLIER -124.0 138.22 54.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 111.036 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 592' ' ' ASN . . . . . 0.589 ' OD1' ' CE3' ' A' ' 598' ' ' TRP . 0.9 OUTLIER -150.27 155.84 40.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 29.4 p-10 -82.72 -29.44 29.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . -172.6 -52.1 0.04 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 14.7 t30 168.96 69.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 176.63 -44.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -100.16 83.67 2.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 598' ' ' TRP . . . . . 0.589 ' CE3' ' OD1' ' A' ' 592' ' ' ASN . 33.4 m95 -93.7 127.61 39.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.559 1.162 . . . . 0.0 108.014 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.336 179.982 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 606' ' ' TYR . . . . . 0.589 ' HB2' ' CZ ' ' A' ' 608' ' ' PHE . 79.7 m-85 -124.42 163.22 22.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.56 1.163 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 607' ' ' LEU . . . . . 0.77 ' N ' HD23 ' A' ' 607' ' ' LEU . 0.1 OUTLIER -108.55 130.77 55.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 608' ' ' PHE . . . . . 0.589 ' CZ ' ' HB2' ' A' ' 606' ' ' TYR . 40.5 m-85 -128.58 144.51 51.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.147 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 43.5 t -112.83 169.59 8.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.113 . . . . 0.0 110.026 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 610' ' ' THR . . . . . 1.029 ' CG2' HD11 ' A' ' 581' ' ' ILE . 51.2 p -58.27 165.83 1.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.418 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 114.49 -126.45 7.28 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.519 1.137 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 612' ' ' THR . . . . . 0.704 HG21 ' HB2' ' A' ' 630' ' ' ALA . 1.5 m -126.78 134.37 50.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 0.785 . . . . 0.0 110.407 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.32 157.75 44.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.011 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 614' ' ' THR . . . . . 0.495 ' O ' ' CG2' ' A' ' 626' ' ' ILE . 84.8 m -132.64 131.36 41.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.436 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 615' ' ' TYR . . . . . 0.808 ' CD1' ' CE1' ' A' ' 591' ' ' PHE . 0.2 OUTLIER -109.51 116.45 31.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.082 . . . . 0.0 111.0 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 52.4 m -120.15 89.91 43.76 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 110.396 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 617' ' ' PRO . . . . . 0.577 ' HG3' ' CD2' ' A' ' 591' ' ' PHE . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.198 0 O-C-N 124.484 1.781 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 626' ' ' ILE . . . . . 0.495 ' CG2' ' O ' ' A' ' 614' ' ' THR . 0.1 OUTLIER -121.89 134.25 65.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.01 121.7 41.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.78 148.77 36.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.435 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 106.63 140.74 9.92 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.704 ' HB2' HG21 ' A' ' 612' ' ' THR . . . -60.6 119.37 43.15 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.458 0.74 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 167.22 27.55 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.531 1.806 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.969 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 534' ' ' ASN . . . . . 0.47 ' O ' ' HG3' ' A' ' 535' ' ' LYS . 1.9 m-20 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 535' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' A' ' 534' ' ' ASN . 5.1 mtpp -139.76 156.13 46.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 536' ' ' VAL . . . . . 0.743 HG22 ' O ' ' A' ' 579' ' ' VAL . 2.6 m -125.04 119.24 55.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 3.9 m -101.25 122.78 44.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.394 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 538' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 576' ' ' LYS . 1.4 t -127.06 128.63 70.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 539' ' ' TYR . . . . . 0.409 ' CD2' ' HG2' ' A' ' 631' ' ' PRO . 7.3 m-85 -104.8 131.06 52.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 540' ' ' TYR . . . . . 0.643 ' CD1' ' CE2' ' A' ' 591' ' ' PHE . 81.2 t80 -115.27 138.73 50.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -88.7 113.85 24.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 542' ' ' LYS . . . . . 0.467 ' HA ' ' HA3' ' A' ' 543' ' ' GLY . 7.4 ttpt -93.65 139.44 30.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 543' ' ' GLY . . . . . 0.467 ' HA3' ' HA ' ' A' ' 542' ' ' LYS . . . 155.83 -134.03 3.96 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.453 1.096 . . . . 0.0 110.997 0.04 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -118.48 -75.82 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -154.55 -50.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 546' ' ' SER . . . . . 0.44 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 0.4 OUTLIER -168.35 62.58 0.54 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.042 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 547' ' ' PRO . . . . . 0.44 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.3 Cg_endo -75.03 148.82 35.67 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.452 1.764 . . . . 0.0 110.949 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 548' ' ' TYR . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 565' ' ' LYS . 2.1 m-85 -104.03 160.91 14.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 111.003 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 549' ' ' ILE . . . . . 0.928 HD11 ' HB1' ' A' ' 589' ' ' ALA . 0.2 OUTLIER -128.8 142.74 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 550' ' ' HIS . . . . . 0.494 ' CE1' ' HB2' ' A' ' 561' ' ' ALA . 13.6 t-160 -124.09 116.43 22.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.557 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 551' ' ' TYR . . . . . 0.915 ' CE2' HD13 ' A' ' 577' ' ' ILE . 0.2 OUTLIER -126.47 160.77 29.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.933 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 552' ' ' ARG . . . . . 0.603 ' HD3' ' CD1' ' A' ' 558' ' ' TRP . 0.3 OUTLIER -145.02 151.06 47.81 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.248 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 553' ' ' PRO . . . . . 0.487 ' O ' ' C ' ' A' ' 554' ' ' ALA . 18.3 Cg_endo -75.0 154.04 42.19 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.479 1.778 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 554' ' ' ALA . . . . . 0.487 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -32.53 -73.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -124.23 86.28 0.37 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.537 1.148 . . . . 0.0 111.025 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -146.96 -91.05 0.1 OUTLIER Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 557' ' ' SER . . . . . 0.485 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 29.5 t -167.85 -178.86 3.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 0.0 109.979 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 558' ' ' TRP . . . . . 0.603 ' CD1' ' HD3' ' A' ' 552' ' ' ARG . 64.9 m95 -109.95 114.84 28.71 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 559' ' ' THR . . . . . 0.467 HG22 ' H ' ' A' ' 560' ' ' ALA . 8.7 m -47.21 173.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.41 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 560' ' ' ALA . . . . . 0.467 ' H ' HG22 ' A' ' 559' ' ' THR . . . -71.61 107.51 4.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 561' ' ' ALA . . . . . 0.494 ' HB2' ' CE1' ' A' ' 550' ' ' HIS . . . -69.29 134.66 89.06 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 562' ' ' PRO . . . . . 0.521 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.2 Cg_endo -75.0 149.71 94.28 Favored 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 120.998 -2.501 . . . . 0.0 110.98 0.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 563' ' ' GLY . . . . . 0.521 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -44.8 -105.81 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.467 1.105 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 564' ' ' VAL . . . . . 0.497 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.2 t -136.83 158.17 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 0.759 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 565' ' ' LYS . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 548' ' ' TYR . 0.6 OUTLIER -82.99 117.93 23.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 566' ' ' MET . . . . . 0.588 ' HG2' HG21 ' A' ' 549' ' ' ILE . 0.7 OUTLIER -33.43 148.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 111.013 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 567' ' ' GLN . . . . . 0.462 ' O ' ' O ' ' A' ' 576' ' ' LYS . 0.6 OUTLIER -109.57 111.85 23.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 568' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 567' ' ' GLN . 0.0 OUTLIER -38.2 146.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -90.48 -145.69 0.18 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -130.29 6.01 4.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 571' ' ' ILE . . . . . 0.583 HG21 ' CB ' ' A' ' 632' ' ' SER . 80.7 mt -78.95 -81.14 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 167.49 99.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.013 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 82.06 8.93 85.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.52 1.137 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -104.56 154.59 19.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.773 . . . . 0.0 110.987 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 575' ' ' ALA . . . . . 0.532 ' HB1' ' HB3' ' A' ' 566' ' ' MET . . . -115.8 156.52 25.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 576' ' ' LYS . . . . . 0.462 ' O ' ' O ' ' A' ' 567' ' ' GLN . 2.9 ptmt -152.85 146.87 25.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 577' ' ' ILE . . . . . 0.915 HD13 ' CE2' ' A' ' 551' ' ' TYR . 0.8 OUTLIER -137.54 151.62 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 578' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 3.9 m -128.73 128.74 44.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.429 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 579' ' ' VAL . . . . . 0.743 ' O ' HG22 ' A' ' 536' ' ' VAL . 22.6 t -130.78 136.52 58.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 580' ' ' ASP . . . . . 0.492 ' O ' ' CG2' ' A' ' 581' ' ' ILE . 13.2 t70 -79.79 150.29 30.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 581' ' ' ILE . . . . . 0.803 ' HB ' ' HB3' ' A' ' 584' ' ' ALA . 34.7 pt -156.14 50.94 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 582' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 581' ' ' ILE . . . -32.7 -78.22 0.03 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.454 1.096 . . . . 0.0 110.971 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.81 -30.33 40.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 109.975 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 584' ' ' ALA . . . . . 0.803 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -60.94 136.57 58.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.256 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 80.7 p -115.46 -2.66 12.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.035 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -151.53 138.03 18.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.338 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.725 HD11 HG11 ' A' ' 579' ' ' VAL . 6.0 tt -138.6 134.74 34.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 109.258 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 588' ' ' GLU . . . . . 0.586 ' N ' HD23 ' A' ' 587' ' ' LEU . 0.9 OUTLIER -100.73 145.77 28.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 589' ' ' ALA . . . . . 0.928 ' HB1' HD11 ' A' ' 549' ' ' ILE . . . -140.09 141.02 36.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 590' ' ' ALA . . . . . 0.444 ' HB2' ' OD1' ' A' ' 605' ' ' ASN . . . -122.17 162.33 21.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 591' ' ' PHE . . . . . 0.802 ' CE1' ' CE1' ' A' ' 615' ' ' TYR . 12.9 m-85 -129.97 127.37 39.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 592' ' ' ASN . . . . . 0.414 ' HA ' ' O ' ' A' ' 597' ' ' ASN . 2.3 p30 -149.59 138.21 20.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 593' ' ' ASP . . . . . 0.426 ' CG ' ' CB ' ' A' ' 597' ' ' ASN . 42.8 p-10 -51.92 -32.53 33.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.078 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 114.47 8.37 16.68 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.487 1.117 . . . . 0.0 110.967 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 -124.27 -94.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -121.18 -1.04 9.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 597' ' ' ASN . . . . . 0.426 ' CB ' ' CG ' ' A' ' 593' ' ' ASP . 2.4 t30 -92.04 92.64 8.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 55.7 m95 -117.38 135.06 54.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 108.041 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.975 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 605' ' ' ASN . . . . . 0.444 ' OD1' ' HB2' ' A' ' 590' ' ' ALA . 15.2 m-80 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 606' ' ' TYR . . . . . 0.617 ' HB2' ' CZ ' ' A' ' 608' ' ' PHE . 96.9 m-85 -108.12 162.8 13.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 1.4 mp -115.03 120.23 39.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 608' ' ' PHE . . . . . 0.617 ' CZ ' ' HB2' ' A' ' 606' ' ' TYR . 9.0 m-85 -123.34 146.85 47.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 111.024 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 22.9 t -111.45 171.47 7.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.968 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 610' ' ' THR . . . . . 0.747 HG23 HD11 ' A' ' 581' ' ' ILE . 44.2 p -43.56 166.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.385 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 105.52 -164.68 14.02 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.513 1.133 . . . . 0.0 111.052 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 612' ' ' THR . . . . . 0.435 HG21 ' CA ' ' A' ' 630' ' ' ALA . 14.1 m -103.27 132.57 49.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.765 . . . . 0.0 110.383 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 14.5 m -139.38 157.23 46.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.991 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 614' ' ' THR . . . . . 0.501 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 7.0 m -133.69 114.72 13.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.408 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 615' ' ' TYR . . . . . 0.802 ' CE1' ' CE1' ' A' ' 591' ' ' PHE . 29.0 t80 -96.66 117.49 31.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 111.037 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 73.6 m -115.51 117.45 40.51 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.377 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 617' ' ' PRO . . . . . 0.452 ' HG3' ' CE1' ' A' ' 540' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.128 0 O-C-N 124.524 1.802 . . . . 0.0 110.972 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 19.7 p . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 626' ' ' ILE . . . . . 0.55 HG23 ' HA ' ' A' ' 615' ' ' TYR . 0.2 OUTLIER -121.02 128.11 76.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.14 124.64 51.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.87 148.41 38.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.455 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 105.12 143.55 12.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.435 ' CA ' HG21 ' A' ' 612' ' ' THR . . . -59.23 120.38 47.19 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.538 0.787 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 631' ' ' PRO . . . . . 0.484 ' HG3' ' CG2' ' A' ' 614' ' ' THR . 18.4 Cg_endo -74.98 162.1 37.72 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.484 1.781 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 632' ' ' SER . . . . . 0.583 ' CB ' HG21 ' A' ' 571' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.018 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 534' ' ' ASN . . . . . 0.621 ' HB3' HG21 ' A' ' 610' ' ' THR . 1.3 m-20 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 535' ' ' LYS . . . . . 0.577 ' HB3' HG22 ' A' ' 578' ' ' THR . 1.9 mptt -144.48 145.26 31.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 536' ' ' VAL . . . . . 0.644 HG13 ' HA ' ' A' ' 610' ' ' THR . 0.2 OUTLIER -114.6 121.63 67.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 11.2 m -101.44 123.32 45.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.404 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 538' ' ' VAL . . . . . 0.547 HG13 ' HB2' ' A' ' 613' ' ' SER . 2.1 t -125.3 131.44 72.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 539' ' ' TYR . . . . . 0.429 ' HA ' ' O ' ' A' ' 575' ' ' ALA . 2.3 m-85 -107.11 118.98 38.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 540' ' ' TYR . . . . . 0.59 ' CD2' ' CZ ' ' A' ' 591' ' ' PHE . 42.6 t80 -113.08 139.11 48.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 7.0 ttpp -86.57 113.21 22.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 542' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -82.32 139.04 34.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 157.08 -131.32 2.89 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 0.034 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -122.35 -77.74 0.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 0.743 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -155.51 -51.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.244 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 546' ' ' SER . . . . . 0.437 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 2.2 m -169.94 62.9 0.45 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.026 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 547' ' ' PRO . . . . . 0.437 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.2 Cg_endo -74.93 159.06 42.05 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.501 1.79 . . . . 0.0 110.964 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 548' ' ' TYR . . . . . 0.565 ' CE1' ' HB2' ' A' ' 565' ' ' LYS . 2.1 m-85 -118.43 147.4 43.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 549' ' ' ILE . . . . . 0.615 HG12 ' CD2' ' A' ' 551' ' ' TYR . 0.3 OUTLIER -117.13 143.77 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.281 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 550' ' ' HIS . . . . . 0.665 ' CE1' ' HB2' ' A' ' 561' ' ' ALA . 14.8 t-160 -129.77 118.7 22.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.573 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 551' ' ' TYR . . . . . 0.615 ' CD2' HG12 ' A' ' 549' ' ' ILE . 0.5 OUTLIER -128.95 160.87 31.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 552' ' ' ARG . . . . . 0.568 ' HD3' ' CE2' ' A' ' 558' ' ' TRP . 6.8 ptt-85 -141.02 173.59 4.74 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 553' ' ' PRO . . . . . 0.602 ' O ' ' C ' ' A' ' 554' ' ' ALA . 18.4 Cg_endo -74.99 160.44 40.19 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.546 1.814 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 554' ' ' ALA . . . . . 0.602 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -22.52 -54.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 555' ' ' GLY . . . . . 0.526 ' HA2' HH21 ' A' ' 552' ' ' ARG . . . -174.08 80.07 0.08 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.128 . . . . 0.0 111.048 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -138.06 -95.29 0.35 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.53 146.51 47.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 0.766 . . . . 0.0 110.024 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 558' ' ' TRP . . . . . 0.568 ' CE2' ' HD3' ' A' ' 552' ' ' ARG . 22.3 m95 -86.64 120.48 28.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 108.02 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 559' ' ' THR . . . . . 0.406 ' O ' ' O ' ' A' ' 558' ' ' TRP . 4.8 m -43.17 167.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.381 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 560' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -65.81 107.69 1.89 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 561' ' ' ALA . . . . . 0.665 ' HB2' ' CE1' ' A' ' 550' ' ' HIS . . . -75.64 134.0 73.06 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 562' ' ' PRO . . . . . 0.49 ' C ' ' HA ' ' A' ' 561' ' ' ALA . 18.3 Cg_endo -75.05 148.2 91.08 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 120.967 -2.514 . . . . 0.0 110.993 0.014 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 563' ' ' GLY . . . . . 0.486 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -45.81 -104.15 0.01 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 564' ' ' VAL . . . . . 0.542 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 2.0 t -135.88 157.92 38.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 0.772 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 565' ' ' LYS . . . . . 0.565 ' HB2' ' CE1' ' A' ' 548' ' ' TYR . 0.0 OUTLIER -90.29 117.7 29.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 566' ' ' MET . . . . . 0.535 ' HE1' ' HB2' ' A' ' 540' ' ' TYR . 3.6 mtp -36.27 127.44 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 567' ' ' GLN . . . . . 0.459 ' O ' ' O ' ' A' ' 576' ' ' LYS . 2.0 mt-30 -100.16 118.23 36.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 568' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 567' ' ' GLN . 0.2 OUTLIER -39.19 150.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.46 ' HA ' ' CD ' ' A' ' 576' ' ' LYS . . . -89.15 -146.02 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -126.57 6.37 6.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.266 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 571' ' ' ILE . . . . . 0.481 HG22 ' N ' ' A' ' 572' ' ' SER . 4.3 mm -81.39 -93.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 572' ' ' SER . . . . . 0.481 ' N ' HG22 ' A' ' 571' ' ' ILE . 0.2 OUTLIER 177.47 93.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.996 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 91.9 9.68 62.19 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -103.51 158.8 16.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 0.787 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 575' ' ' ALA . . . . . 0.429 ' O ' ' HA ' ' A' ' 539' ' ' TYR . . . -117.16 154.88 30.31 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 576' ' ' LYS . . . . . 0.46 ' CD ' ' HA ' ' A' ' 569' ' ' ALA . 0.0 OUTLIER -150.85 132.49 14.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 577' ' ' ILE . . . . . 1.067 HD13 ' O ' ' A' ' 577' ' ' ILE . 0.0 OUTLIER -133.97 148.3 30.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 578' ' ' THR . . . . . 0.577 HG22 ' HB3' ' A' ' 535' ' ' LYS . 3.9 m -120.7 135.64 55.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.397 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 579' ' ' VAL . . . . . 0.798 HG11 HD11 ' A' ' 587' ' ' LEU . 4.8 t -128.96 122.71 57.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 580' ' ' ASP . . . . . 0.442 ' HA ' ' O ' ' A' ' 534' ' ' ASN . 0.0 OUTLIER -87.32 129.56 34.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 581' ' ' ILE . . . . . 0.948 ' HB ' ' HB3' ' A' ' 584' ' ' ALA . 18.6 pt -107.11 -46.57 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 582' ' ' GLY . . . . . 0.537 ' O ' ' CB ' ' A' ' 583' ' ' SER . . . 49.51 92.47 0.01 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.462 1.101 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 583' ' ' SER . . . . . 0.537 ' CB ' ' O ' ' A' ' 582' ' ' GLY . 0.4 OUTLIER 88.52 41.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 109.968 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 584' ' ' ALA . . . . . 0.948 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -154.41 145.52 22.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 78.7 p -113.66 0.5 14.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 109.976 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 586' ' ' GLN . . . . . 0.469 ' O ' ' CA ' ' A' ' 554' ' ' ALA . 91.3 mt-30 -151.48 138.95 19.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 587' ' ' LEU . . . . . 0.798 HD11 HG11 ' A' ' 579' ' ' VAL . 0.0 OUTLIER -141.21 142.83 33.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 0.0 109.258 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 588' ' ' GLU . . . . . 0.439 ' CD ' ' CB ' ' A' ' 605' ' ' ASN . 6.6 tt0 -92.14 146.98 23.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 589' ' ' ALA . . . . . 0.649 ' HB3' ' CE2' ' A' ' 608' ' ' PHE . . . -142.85 138.69 30.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -128.29 162.84 26.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 591' ' ' PHE . . . . . 0.59 ' CZ ' ' CD2' ' A' ' 540' ' ' TYR . 1.3 m-85 -121.7 127.42 50.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 592' ' ' ASN . . . . . 0.518 ' HB3' ' CE3' ' A' ' 598' ' ' TRP . 11.2 p30 -142.95 136.04 28.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 593' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 597' ' ' ASN . 20.2 p-10 -61.0 -28.15 68.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 102.05 2.65 51.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 595' ' ' ASN . . . . . 0.443 ' O ' ' HB2' ' A' ' 596' ' ' ASN . 1.4 t-20 -111.64 -32.95 6.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 0.74 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 596' ' ' ASN . . . . . 0.443 ' HB2' ' O ' ' A' ' 595' ' ' ASN . 7.7 t-20 172.11 -37.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 597' ' ' ASN . . . . . 0.461 ' N ' ' OD1' ' A' ' 593' ' ' ASP . 15.6 t-20 -48.3 117.47 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 598' ' ' TRP . . . . . 0.518 ' CE3' ' HB3' ' A' ' 592' ' ' ASN . 57.0 m95 -122.28 131.37 53.88 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.335 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 605' ' ' ASN . . . . . 0.564 ' ND2' ' O ' ' A' ' 589' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 606' ' ' TYR . . . . . 0.675 ' CD2' HD11 ' A' ' 626' ' ' ILE . 10.7 m-85 -124.17 154.15 40.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 6.4 mp -103.96 121.2 42.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 608' ' ' PHE . . . . . 0.649 ' CE2' ' HB3' ' A' ' 589' ' ' ALA . 32.5 m-85 -122.16 142.72 50.11 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 110.958 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 609' ' ' SER . . . . . 0.568 ' O ' HG13 ' A' ' 536' ' ' VAL . 4.8 t -112.53 166.39 11.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.982 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 610' ' ' THR . . . . . 0.831 ' CG2' HD11 ' A' ' 581' ' ' ILE . 40.2 p -56.07 160.37 2.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.405 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 118.18 -126.87 7.05 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 612' ' ' THR . . . . . 0.638 HG21 ' HB2' ' A' ' 630' ' ' ALA . 2.5 m -128.4 134.71 48.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 0.78 . . . . 0.0 110.405 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 613' ' ' SER . . . . . 0.547 ' HB2' HG13 ' A' ' 538' ' ' VAL . 8.0 m -137.63 158.12 45.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 110.027 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 614' ' ' THR . . . . . 0.543 HG23 ' HG3' ' A' ' 631' ' ' PRO . 3.7 m -133.0 115.63 15.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.439 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 615' ' ' TYR . . . . . 0.505 ' HA ' HG23 ' A' ' 626' ' ' ILE . 0.1 OUTLIER -97.86 117.16 31.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 111.02 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 18.6 m -117.61 116.45 36.75 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.402 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 617' ' ' PRO . . . . . 0.588 ' HG3' ' CE2' ' A' ' 540' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.535 1.808 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 8.2 p . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 626' ' ' ILE . . . . . 0.675 HD11 ' CD2' ' A' ' 606' ' ' TYR . 0.1 OUTLIER -121.16 127.84 75.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.82 123.77 51.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.22 149.12 37.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 110.338 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 107.99 139.88 9.14 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.638 ' HB2' HG21 ' A' ' 612' ' ' THR . . . -60.07 120.84 54.31 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.555 0.797 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 631' ' ' PRO . . . . . 0.543 ' HG3' HG23 ' A' ' 614' ' ' THR . 18.2 Cg_endo -75.02 160.74 39.72 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.523 1.802 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.993 179.972 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . 60.6 140.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 63.1 m -94.73 -75.56 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 110.437 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 533' ' ' THR . . . . . 0.716 ' O ' HG22 ' A' ' 533' ' ' THR . 0.7 OUTLIER -166.49 89.94 0.4 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 110.428 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 534' ' ' ASN . . . . . 0.559 ' HB3' HG21 ' A' ' 610' ' ' THR . 1.2 m-20 -103.38 179.05 4.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 19.7 mttt -144.59 151.46 39.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 536' ' ' VAL . . . . . 0.727 HG22 ' O ' ' A' ' 579' ' ' VAL . 0.4 OUTLIER -119.97 117.2 52.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.344 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 5.9 m -101.49 122.12 43.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.411 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 538' ' ' VAL . . . . . 0.489 HG12 ' HB2' ' A' ' 615' ' ' TYR . 3.0 t -126.67 132.78 69.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 539' ' ' TYR . . . . . 0.57 ' CD2' ' HG2' ' A' ' 631' ' ' PRO . 1.2 m-85 -107.16 122.87 47.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 111.044 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 540' ' ' TYR . . . . . 0.815 ' CD1' ' CZ ' ' A' ' 591' ' ' PHE . 41.1 t80 -108.52 139.33 43.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -91.99 114.87 27.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 542' ' ' LYS . . . . . 0.416 ' HG3' ' CA ' ' A' ' 543' ' ' GLY . 5.6 ttpt -80.41 138.67 36.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 543' ' ' GLY . . . . . 0.416 ' CA ' ' HG3' ' A' ' 542' ' ' LYS . . . 155.57 -130.29 2.74 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.544 1.152 . . . . 0.0 111.01 -0.018 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -130.53 -86.09 0.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 0.79 . . . . 0.0 110.979 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -147.42 -52.24 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 546' ' ' SER . . . . . 0.474 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 27.6 t -164.65 61.19 0.83 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 547' ' ' PRO . . . . . 0.474 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.4 Cg_endo -74.98 149.64 37.09 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.489 1.783 . . . . 0.0 111.033 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 548' ' ' TYR . . . . . 0.467 ' CE2' ' HB2' ' A' ' 565' ' ' LYS . 3.2 m-85 -110.38 151.85 26.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 111.038 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 549' ' ' ILE . . . . . 0.612 HG12 ' CD2' ' A' ' 551' ' ' TYR . 0.9 OUTLIER -117.61 143.01 29.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 550' ' ' HIS . . . . . 0.61 ' CE1' ' HB2' ' A' ' 561' ' ' ALA . 12.8 t-160 -128.64 117.18 20.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.622 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 551' ' ' TYR . . . . . 0.612 ' CD2' HG12 ' A' ' 549' ' ' ILE . 0.3 OUTLIER -132.64 161.87 32.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 552' ' ' ARG . . . . . 0.575 ' HG2' ' CH2' ' A' ' 558' ' ' TRP . 9.1 ptt180 -146.39 159.31 45.44 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.3 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 553' ' ' PRO . . . . . 0.715 ' O ' ' C ' ' A' ' 554' ' ' ALA . 18.3 Cg_endo -75.04 141.16 26.2 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.498 1.789 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 554' ' ' ALA . . . . . 0.715 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -4.51 83.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.419 1.075 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 555' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 553' ' ' PRO . . . 32.55 68.83 0.15 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.555 1.16 . . . . 0.0 111.045 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 556' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 553' ' ' PRO . . . -123.09 -92.41 1.06 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 557' ' ' SER . . . . . 0.421 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 0.0 OUTLIER -115.63 138.36 51.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 0.741 . . . . 0.0 109.988 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 558' ' ' TRP . . . . . 0.575 ' CH2' ' HG2' ' A' ' 552' ' ' ARG . 71.3 m95 -95.33 102.99 14.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 107.983 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 559' ' ' THR . . . . . 0.432 ' O ' ' O ' ' A' ' 558' ' ' TRP . 14.8 m -41.12 164.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.38 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 560' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -57.36 110.07 0.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 561' ' ' ALA . . . . . 0.61 ' HB2' ' CE1' ' A' ' 550' ' ' HIS . . . -74.23 132.97 78.53 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 562' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 561' ' ' ALA . 18.3 Cg_endo -74.95 144.46 81.05 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 121.022 -2.491 . . . . 0.0 111.013 -0.045 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 563' ' ' GLY . . . . . 0.478 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -38.78 -98.59 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.446 1.091 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 564' ' ' VAL . . . . . 0.531 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.8 t -136.52 158.33 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 0.784 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 565' ' ' LYS . . . . . 0.483 ' O ' ' C ' ' A' ' 566' ' ' MET . 0.1 OUTLIER -86.85 115.1 24.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 566' ' ' MET . . . . . 0.639 ' HE3' ' HB2' ' A' ' 540' ' ' TYR . 2.4 mmt -30.39 125.3 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 567' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 568' ' ' ASP . 6.8 mt-30 -90.19 111.99 23.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.249 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 568' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 567' ' ' GLN . 0.1 OUTLIER -36.83 145.22 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -79.35 -144.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -130.01 5.01 4.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.304 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 571' ' ' ILE . . . . . . . . . . . . . 43.6 mt -83.87 -86.68 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 171.53 95.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.043 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 95.34 8.25 58.8 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.547 1.155 . . . . 0.0 111.056 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -104.55 160.45 14.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 0.765 . . . . 0.0 110.96 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 575' ' ' ALA . . . . . 0.558 ' HB1' ' HB3' ' A' ' 566' ' ' MET . . . -121.69 155.88 34.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 576' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 567' ' ' GLN . 7.4 ptmt -155.22 145.84 22.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 577' ' ' ILE . . . . . 1.033 HD13 ' O ' ' A' ' 577' ' ' ILE . 0.0 OUTLIER -141.63 147.99 21.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 578' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 5.6 m -125.23 132.01 53.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.377 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 579' ' ' VAL . . . . . 0.727 ' O ' HG22 ' A' ' 536' ' ' VAL . 3.0 t -129.41 128.52 66.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 580' ' ' ASP . . . . . 0.439 ' HA ' ' O ' ' A' ' 534' ' ' ASN . 8.7 t70 -80.28 150.05 30.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 581' ' ' ILE . . . . . 0.892 HD11 HG23 ' A' ' 610' ' ' THR . 40.2 pt -149.77 57.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 582' ' ' GLY . . . . . 0.504 ' CA ' ' HA ' ' A' ' 533' ' ' THR . . . -68.34 57.58 0.44 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.567 1.167 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 583' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 582' ' ' GLY . 0.6 OUTLIER 159.03 -25.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 0.792 . . . . 0.0 109.981 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 584' ' ' ALA . . . . . 0.694 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -96.58 140.55 31.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.79 -4.29 21.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.984 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 586' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' ' 608' ' ' PHE . 29.0 mt-30 -151.53 138.51 19.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.569 HD22 HG21 ' A' ' 536' ' ' VAL . 0.1 OUTLIER -135.39 142.01 45.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 588' ' ' GLU . . . . . 0.47 ' HA ' ' O ' ' A' ' 606' ' ' TYR . 3.3 pm0 -105.31 142.66 34.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.285 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 589' ' ' ALA . . . . . 0.561 ' CB ' ' HB3' ' A' ' 551' ' ' TYR . . . -135.25 146.55 48.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -125.81 163.75 22.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 591' ' ' PHE . . . . . 0.815 ' CZ ' ' CD1' ' A' ' 540' ' ' TYR . 0.8 OUTLIER -125.18 127.12 46.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 111.045 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -143.94 135.48 25.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 593' ' ' ASP . . . . . 0.461 ' N ' ' OD1' ' A' ' 593' ' ' ASP . 0.0 OUTLIER -68.9 -16.0 63.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 92.17 16.69 49.64 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.125 . . . . 0.0 110.995 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -141.24 67.66 1.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 0.771 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 4.4 m120 48.72 26.25 1.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -116.32 77.0 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 60.3 m95 -92.68 152.92 19.27 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -139.99 65.84 1.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 600' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 604' ' ' LYS . 1.5 m -52.28 -96.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.962 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 601' ' ' ASN . . . . . 0.508 ' HB3' ' CZ ' ' A' ' 606' ' ' TYR . 0.5 OUTLIER -172.26 -96.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -128.55 2.08 5.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 603' ' ' THR . . . . . 0.601 HG22 ' N ' ' A' ' 604' ' ' LYS . 0.9 OUTLIER -160.93 -73.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.4 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 604' ' ' LYS . . . . . 0.601 ' N ' HG22 ' A' ' 603' ' ' THR . 11.6 ttmt -129.41 -74.88 0.55 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -157.53 -174.14 4.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 606' ' ' TYR . . . . . 0.614 ' HB2' ' CZ ' ' A' ' 608' ' ' PHE . 30.8 m-85 -109.72 162.6 14.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.966 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 6.6 mt -104.98 121.91 44.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 608' ' ' PHE . . . . . 0.614 ' CZ ' ' HB2' ' A' ' 606' ' ' TYR . 7.2 m-85 -117.48 144.43 45.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 15.6 t -112.53 166.89 10.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.032 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 610' ' ' THR . . . . . 0.892 HG23 HD11 ' A' ' 581' ' ' ILE . 34.1 p -53.62 162.47 0.84 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.403 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 113.73 -143.81 18.01 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 612' ' ' THR . . . . . 0.606 HG21 ' HB2' ' A' ' 630' ' ' ALA . 2.0 m -114.19 126.73 55.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 0.78 . . . . 0.0 110.399 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 17.9 m -139.49 158.29 44.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.044 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 614' ' ' THR . . . . . 0.504 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 6.6 m -133.12 122.47 24.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.414 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 615' ' ' TYR . . . . . 0.489 ' HB2' HG12 ' A' ' 538' ' ' VAL . 0.3 OUTLIER -97.57 122.12 40.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 111.007 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 54.9 m -131.52 126.7 21.28 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.377 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -37.38 2.05 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.523 1.802 . . . . 0.0 111.014 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 69.2 165.16 4.11 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 619' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 620' ' ' ASN . 0.1 OUTLIER -127.94 -42.57 1.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.773 . . . . 0.0 110.007 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 620' ' ' ASN . . . . . 0.41 ' O ' ' O ' ' A' ' 619' ' ' SER . 1.6 m120 -61.85 -138.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . -83.97 38.16 2.84 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 622' ' ' ALA . . . . . . . . . . . . . . . -121.52 104.19 9.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 0.76 . . . . 0.0 109.337 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 623' ' ' ALA . . . . . 0.424 ' O ' ' O ' ' A' ' 624' ' ' GLY . . . -99.58 97.69 8.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 624' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 623' ' ' ALA . . . 53.35 107.99 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 45.1 p -142.85 147.83 36.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 0.784 . . . . 0.0 110.377 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 626' ' ' ILE . . . . . 0.565 HG12 ' CE1' ' A' ' 608' ' ' PHE . 0.1 OUTLIER -123.68 129.62 74.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.1 122.27 47.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.54 147.2 39.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.406 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 110.1 140.55 8.68 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.606 ' HB2' HG21 ' A' ' 612' ' ' THR . . . -59.84 118.52 32.84 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.492 0.76 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 631' ' ' PRO . . . . . 0.57 ' HG2' ' CD2' ' A' ' 539' ' ' TYR . 18.3 Cg_endo -75.06 156.9 42.75 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 27.0 p -144.14 82.86 1.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.416 1.073 . . . . 0.0 110.019 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 633' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.51 1.132 . . . . 0.0 110.994 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . -141.66 -158.94 7.73 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 73.1 p -48.73 143.77 4.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 0.773 . . . . 0.0 110.385 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.69 123.06 16.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.448 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 534' ' ' ASN . . . . . 0.791 ' HB3' HG21 ' A' ' 610' ' ' THR . 1.2 m-20 -98.0 175.28 6.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 535' ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 579' ' ' VAL . 0.1 OUTLIER -145.64 154.74 42.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 536' ' ' VAL . . . . . 0.713 HG12 ' HA ' ' A' ' 610' ' ' THR . 32.7 m -121.43 113.32 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 21.0 m -103.28 121.34 42.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.356 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 538' ' ' VAL . . . . . 0.645 HG13 ' HB2' ' A' ' 613' ' ' SER . 2.2 t -126.65 130.84 71.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 539' ' ' TYR . . . . . 0.412 ' HA ' ' O ' ' A' ' 575' ' ' ALA . 2.6 m-85 -107.56 124.59 50.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 111.044 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 540' ' ' TYR . . . . . 0.598 ' CD2' ' SD ' ' A' ' 566' ' ' MET . 54.4 t80 -113.85 139.28 49.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 110.942 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 62.5 tttt -85.68 112.9 21.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 542' ' ' LYS . . . . . 0.416 ' HA ' ' HA3' ' A' ' 543' ' ' GLY . 1.8 ttpt -84.1 138.06 33.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 543' ' ' GLY . . . . . 0.416 ' HA3' ' HA ' ' A' ' 542' ' ' LYS . . . 156.84 -132.92 3.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.446 1.091 . . . . 0.0 110.977 0.048 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -120.29 -82.69 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -154.16 -48.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.246 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 546' ' ' SER . . . . . 0.479 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 33.3 p -164.36 61.04 0.85 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.012 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 547' ' ' PRO . . . . . 0.479 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.3 Cg_endo -74.98 147.61 34.27 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.482 1.78 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 548' ' ' TYR . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 565' ' ' LYS . 8.1 m-85 -113.68 156.07 24.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 549' ' ' ILE . . . . . 0.8 HD13 ' O ' ' A' ' 564' ' ' VAL . 0.2 OUTLIER -127.48 140.19 49.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 550' ' ' HIS . . . . . 0.523 ' CE1' ' HB2' ' A' ' 561' ' ' ALA . 10.7 t-160 -121.81 114.07 20.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.578 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 551' ' ' TYR . . . . . 0.701 ' HB2' HD21 ' A' ' 587' ' ' LEU . 0.2 OUTLIER -125.95 160.93 28.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 552' ' ' ARG . . . . . 0.52 ' NE ' ' NE1' ' A' ' 558' ' ' TRP . 0.0 OUTLIER -148.47 147.49 25.54 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.31 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 553' ' ' PRO . . . . . 0.481 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.4 Cg_endo -74.96 147.72 34.47 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.537 1.809 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 554' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 586' ' ' GLN . . . -78.1 63.58 3.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 142.96 39.45 0.07 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 556' ' ' GLY . . . . . 0.427 ' HA3' ' HG2' ' A' ' 553' ' ' PRO . . . -142.84 -93.37 0.19 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 557' ' ' SER . . . . . 0.481 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 48.4 t -178.41 -174.32 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 0.0 109.987 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 558' ' ' TRP . . . . . 0.52 ' NE1' ' NE ' ' A' ' 552' ' ' ARG . 56.7 m95 -100.55 134.92 42.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 108.009 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 559' ' ' THR . . . . . 0.557 HG22 ' H ' ' A' ' 560' ' ' ALA . 87.8 m -72.45 175.61 6.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.382 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 560' ' ' ALA . . . . . 0.557 ' H ' HG22 ' A' ' 559' ' ' THR . . . -67.89 107.24 2.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 561' ' ' ALA . . . . . 0.523 ' HB2' ' CE1' ' A' ' 550' ' ' HIS . . . -70.41 134.07 86.94 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 562' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 561' ' ' ALA . 18.3 Cg_endo -75.01 147.51 89.44 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 120.981 -2.508 . . . . 0.0 110.991 0.009 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 563' ' ' GLY . . . . . 0.491 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -39.66 -99.48 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 564' ' ' VAL . . . . . 0.8 ' O ' HD13 ' A' ' 549' ' ' ILE . 1.7 t -137.9 159.16 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.434 0.726 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 565' ' ' LYS . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 548' ' ' TYR . 9.8 tptm -87.74 113.72 23.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 566' ' ' MET . . . . . 0.744 ' HB3' ' HB1' ' A' ' 575' ' ' ALA . 3.0 mtp -31.75 119.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 567' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 576' ' ' LYS . 2.8 mm-40 -87.0 118.25 26.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 110.313 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 568' ' ' ASP . . . . . 0.416 ' HA ' ' O ' ' A' ' 574' ' ' TYR . 0.0 OUTLIER -50.27 133.14 24.23 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.505 ' HB2' ' HB3' ' A' ' 576' ' ' LYS . . . -71.51 -144.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -122.48 4.56 9.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 571' ' ' ILE . . . . . 0.522 ' O ' ' CB ' ' A' ' 572' ' ' SER . 2.2 mm -85.01 -22.92 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 572' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 571' ' ' ILE . 1.3 t 86.75 110.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 94.15 -6.15 72.14 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 574' ' ' TYR . . . . . 0.416 ' O ' ' HA ' ' A' ' 568' ' ' ASP . 0.2 OUTLIER -105.52 161.02 14.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 0.0 111.004 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 575' ' ' ALA . . . . . 0.744 ' HB1' ' HB3' ' A' ' 566' ' ' MET . . . -115.5 154.58 29.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 576' ' ' LYS . . . . . 0.505 ' HB3' ' HB2' ' A' ' 569' ' ' ALA . 1.2 ptmm? -154.52 133.98 12.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 577' ' ' ILE . . . . . 1.03 HD13 ' O ' ' A' ' 577' ' ' ILE . 0.0 OUTLIER -131.62 146.64 33.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 578' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 4.3 m -128.69 128.54 44.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.378 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 579' ' ' VAL . . . . . 0.516 ' HB ' HG22 ' A' ' 536' ' ' VAL . 1.8 t -128.94 127.91 66.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 580' ' ' ASP . . . . . 0.421 ' HA ' ' O ' ' A' ' 534' ' ' ASN . 6.0 t70 -81.85 150.51 27.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.133 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 581' ' ' ILE . . . . . 0.796 HD11 HG23 ' A' ' 610' ' ' THR . 35.6 pt -153.02 61.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 582' ' ' GLY . . . . . 0.554 ' O ' ' CB ' ' A' ' 583' ' ' SER . . . -68.55 52.17 0.47 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 583' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' A' ' 582' ' ' GLY . 1.4 m 154.65 41.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.779 . . . . 0.0 109.934 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 584' ' ' ALA . . . . . 0.763 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -162.08 143.48 10.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.343 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.36 2.1 15.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 586' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' A' ' 554' ' ' ALA . 54.8 mt-30 -146.47 139.11 25.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.701 HD21 ' HB2' ' A' ' 551' ' ' TYR . 6.9 tt -139.62 133.32 30.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.257 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 588' ' ' GLU . . . . . 0.589 ' O ' HD23 ' A' ' 587' ' ' LEU . 4.8 tt0 -90.15 145.73 24.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 589' ' ' ALA . . . . . 0.47 ' O ' ' ND2' ' A' ' 605' ' ' ASN . . . -143.3 135.78 27.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.801 ' HB2' ' OD1' ' A' ' 605' ' ' ASN . . . -123.17 157.7 32.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 591' ' ' PHE . . . . . 0.786 ' CE1' ' CD1' ' A' ' 615' ' ' TYR . 7.4 m-85 -123.87 127.58 48.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 111.03 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -150.19 136.03 18.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 593' ' ' ASP . . . . . 0.472 ' N ' ' OD2' ' A' ' 593' ' ' ASP . 0.5 OUTLIER -68.49 -16.21 63.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 90.61 22.45 33.96 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -131.56 39.25 3.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 0.745 . . . . 0.0 109.344 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 69.73 22.08 6.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -114.65 77.35 1.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -98.66 134.8 41.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 108.007 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -134.84 91.41 2.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.13 . . . . 0.0 109.254 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 600' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.51 -70.25 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 110.021 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 601' ' ' ASN . . . . . 0.437 ' N ' ' OD1' ' A' ' 601' ' ' ASN . 8.9 p-10 167.46 -51.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 602' ' ' ASN . . . . . 0.407 ' O ' ' HB ' ' A' ' 603' ' ' THR . 26.6 t30 -143.38 -54.7 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 603' ' ' THR . . . . . 0.407 ' HB ' ' O ' ' A' ' 602' ' ' ASN . 0.0 OUTLIER 175.0 -34.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.413 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 604' ' ' LYS . . . . . 0.458 ' HD3' HD23 ' A' ' 607' ' ' LEU . 2.5 tmtt? -91.91 24.0 3.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 605' ' ' ASN . . . . . 0.801 ' OD1' ' HB2' ' A' ' 590' ' ' ALA . 0.2 OUTLIER 37.77 -151.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 606' ' ' TYR . . . . . 0.64 ' CD2' HD11 ' A' ' 626' ' ' ILE . 4.7 m-85 -119.44 132.18 55.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 607' ' ' LEU . . . . . 0.512 HD22 ' C ' ' A' ' 606' ' ' TYR . 2.6 mm? -107.65 120.47 42.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 608' ' ' PHE . . . . . 1.127 ' CE1' HD12 ' A' ' 626' ' ' ILE . 11.2 m-85 -132.69 159.29 40.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 111.031 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 2.7 t -105.04 174.11 6.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.985 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 610' ' ' THR . . . . . 0.796 HG23 HD11 ' A' ' 581' ' ' ILE . 76.6 p -53.75 176.13 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.388 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 113.12 -133.09 11.07 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 612' ' ' THR . . . . . 0.412 HG21 ' HB2' ' A' ' 630' ' ' ALA . 11.9 m -130.29 129.02 42.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.76 . . . . 0.0 110.417 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 613' ' ' SER . . . . . 0.645 ' HB2' HG13 ' A' ' 538' ' ' VAL . 0.7 OUTLIER -140.12 158.38 44.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.163 . . . . 0.0 109.974 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 614' ' ' THR . . . . . 0.483 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 58.6 m -134.16 125.04 27.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.452 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 615' ' ' TYR . . . . . 0.786 ' CD1' ' CE1' ' A' ' 591' ' ' PHE . 0.2 OUTLIER -97.82 123.34 41.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.971 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 17.6 m -112.54 123.77 33.31 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.351 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 617' ' ' PRO . . . . . 0.577 ' HG3' ' CE1' ' A' ' 540' ' ' TYR . 18.3 Cg_endo -75.0 -166.49 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.531 1.806 . . . . 0.0 110.972 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . -113.8 -154.87 11.37 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.531 1.144 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 16.7 t -119.87 -41.45 2.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.764 . . . . 0.0 110.027 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 620' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 621' ' ' GLY . 6.3 m-20 -132.84 85.16 2.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 621' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 620' ' ' ASN . . . 36.43 45.16 0.93 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.475 1.11 . . . . 0.0 111.053 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 622' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 623' ' ' ALA . . . -123.27 105.29 9.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 0.73 . . . . 0.0 109.34 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 623' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 622' ' ' ALA . . . -39.24 147.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 624' ' ' GLY . . . . . 0.406 ' O ' HG23 ' A' ' 625' ' ' THR . . . -106.71 -130.9 6.62 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 625' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 624' ' ' GLY . 2.6 p -151.8 167.88 26.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 110.435 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 626' ' ' ILE . . . . . 1.127 HD12 ' CE1' ' A' ' 608' ' ' PHE . 0.6 OUTLIER -115.54 128.63 72.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.66 126.55 55.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 110.269 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.57 147.2 39.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.427 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 110.59 141.57 8.88 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.412 ' HB2' HG21 ' A' ' 612' ' ' THR . . . -59.37 121.85 59.54 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 163.99 34.19 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.51 1.795 . . . . 0.0 110.945 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 7.0 t -152.56 81.04 1.23 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.012 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 633' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 -179.956 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . 93.64 -136.26 12.99 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 532' ' ' THR . . . . . 0.44 ' HA ' ' CG ' ' A' ' 580' ' ' ASP . 6.7 p -43.95 133.4 5.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.538 0.787 . . . . 0.0 110.368 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 96.9 m -157.28 -60.94 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 110.418 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 534' ' ' ASN . . . . . 0.418 ' O ' ' HA ' ' A' ' 580' ' ' ASP . 1.8 m-20 -93.7 168.24 11.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 535' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 579' ' ' VAL . 17.6 mttt -147.27 156.72 43.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 536' ' ' VAL . . . . . 0.449 HG13 ' O ' ' A' ' 609' ' ' SER . 1.7 t -130.2 126.61 61.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 1.8 m -103.37 122.2 44.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 110.428 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 538' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 576' ' ' LYS . 0.3 OUTLIER -123.5 123.46 67.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 539' ' ' TYR . . . . . 0.494 ' CD2' ' HG2' ' A' ' 631' ' ' PRO . 0.8 OUTLIER -101.44 138.96 37.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 540' ' ' TYR . . . . . 0.629 ' HB2' ' HE2' ' A' ' 566' ' ' MET . 1.6 t80 -129.74 138.14 50.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 541' ' ' LYS . . . . . 0.473 ' O ' ' CE1' ' A' ' 540' ' ' TYR . 65.7 tttt -89.94 113.07 24.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 542' ' ' LYS . . . . . 0.504 ' HA ' ' HA3' ' A' ' 543' ' ' GLY . 3.1 ttpt -86.59 140.34 29.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 543' ' ' GLY . . . . . 0.504 ' HA3' ' HA ' ' A' ' 542' ' ' LYS . . . 147.78 -134.34 5.08 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 -0.017 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 544' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 544' ' ' PHE . 16.4 m-85 -119.02 -123.53 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -120.65 -46.57 2.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 546' ' ' SER . . . . . 0.451 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 17.8 t -145.28 62.35 8.78 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.037 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 547' ' ' PRO . . . . . 0.451 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.1 Cg_endo -75.08 146.14 32.02 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.533 1.807 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -123.62 154.66 38.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 549' ' ' ILE . . . . . 0.644 HG21 ' SD ' ' A' ' 566' ' ' MET . 0.2 OUTLIER -127.18 142.73 42.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 550' ' ' HIS . . . . . 0.647 ' CE1' ' HB2' ' A' ' 561' ' ' ALA . 11.0 t-160 -125.36 117.2 23.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.634 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 551' ' ' TYR . . . . . 0.892 ' CE2' HD13 ' A' ' 577' ' ' ILE . 0.3 OUTLIER -127.37 161.21 29.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.965 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 552' ' ' ARG . . . . . 0.508 ' HG3' ' N ' ' A' ' 553' ' ' PRO . 0.0 OUTLIER -143.05 152.49 58.49 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.262 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 553' ' ' PRO . . . . . 0.52 ' O ' ' C ' ' A' ' 554' ' ' ALA . 18.2 Cg_endo -75.0 153.13 41.52 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.516 1.798 . . . . 0.0 111.033 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 554' ' ' ALA . . . . . 0.635 ' HB2' ' O ' ' A' ' 586' ' ' GLN . . . -30.06 -74.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -126.29 86.1 0.34 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.144 . . . . 0.0 111.036 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -145.67 -91.4 0.11 Allowed Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 557' ' ' SER . . . . . 0.493 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 28.9 t -165.6 -179.63 5.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 0.732 . . . . 0.0 109.997 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 558' ' ' TRP . . . . . 0.449 ' CD1' ' HD3' ' A' ' 552' ' ' ARG . 63.3 m95 -107.2 112.41 25.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 107.992 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 559' ' ' THR . . . . . 0.415 HG22 ' H ' ' A' ' 560' ' ' ALA . 8.9 m -45.31 171.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.387 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 560' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -68.06 107.62 2.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 561' ' ' ALA . . . . . 0.647 ' HB2' ' CE1' ' A' ' 550' ' ' HIS . . . -71.21 134.25 85.17 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 562' ' ' PRO . . . . . 0.519 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.4 Cg_endo -75.0 148.16 91.05 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.014 -0.034 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 563' ' ' GLY . . . . . 0.519 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -43.36 -104.07 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 564' ' ' VAL . . . . . 0.494 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.5 t -137.07 158.66 36.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.785 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 565' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 566' ' ' MET . 13.2 tmtt? -82.53 120.65 25.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 566' ' ' MET . . . . . 0.644 ' SD ' HG21 ' A' ' 549' ' ' ILE . 0.0 OUTLIER -35.78 131.25 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 567' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 568' ' ' ASP . 0.6 OUTLIER -91.44 110.23 21.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.173 . . . . 0.0 110.313 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 568' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 567' ' ' GLN . 0.0 OUTLIER -37.2 146.23 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -79.78 -142.04 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -131.07 7.01 4.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 571' ' ' ILE . . . . . 0.418 HG22 ' N ' ' A' ' 572' ' ' SER . 4.5 mt -89.08 -92.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 572' ' ' SER . . . . . 0.418 ' N ' HG22 ' A' ' 571' ' ' ILE . 0.2 OUTLIER 174.62 99.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.999 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 95.65 5.3 60.15 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.491 1.119 . . . . 0.0 111.041 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -104.59 159.25 15.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 110.985 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 575' ' ' ALA . . . . . 0.609 ' HB1' ' HG2' ' A' ' 566' ' ' MET . . . -123.54 156.49 35.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 576' ' ' LYS . . . . . 0.426 ' O ' ' O ' ' A' ' 567' ' ' GLN . 0.0 OUTLIER -154.05 156.17 36.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 577' ' ' ILE . . . . . 0.892 HD13 ' CE2' ' A' ' 551' ' ' TYR . 0.9 OUTLIER -143.45 151.31 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.266 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 578' ' ' THR . . . . . . . . . . . . . 3.9 m -129.06 125.62 37.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.367 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 579' ' ' VAL . . . . . 0.529 HG11 ' CD1' ' A' ' 587' ' ' LEU . 94.8 t -130.36 135.89 59.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 580' ' ' ASP . . . . . 0.501 ' O ' ' CG2' ' A' ' 581' ' ' ILE . 6.5 t70 -84.91 150.13 25.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 581' ' ' ILE . . . . . 0.937 ' HB ' ' HB3' ' A' ' 584' ' ' ALA . 24.2 pt -156.3 45.41 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -53.78 -19.96 11.63 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.35 35.98 4.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 109.945 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 584' ' ' ALA . . . . . 0.937 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -151.97 142.76 22.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.55 -4.49 14.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.994 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 586' ' ' GLN . . . . . 0.635 ' O ' ' HB2' ' A' ' 554' ' ' ALA . 3.2 mt-30 -151.43 139.15 19.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.315 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.529 ' CD1' HG11 ' A' ' 579' ' ' VAL . 0.1 OUTLIER -139.76 141.59 36.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -98.83 145.12 27.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 0.0 110.321 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 589' ' ' ALA . . . . . . . . . . . . . . . -138.09 142.02 40.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.409 ' HB2' ' OD1' ' A' ' 605' ' ' ASN . . . -127.89 157.7 39.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 591' ' ' PHE . . . . . 0.489 ' CZ ' ' HE1' ' A' ' 566' ' ' MET . 7.3 m-85 -122.4 127.1 49.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 592' ' ' ASN . . . . . 0.409 ' HA ' ' O ' ' A' ' 597' ' ' ASN . 17.3 p30 -139.0 158.79 43.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 24.1 p-10 -82.71 -31.66 28.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 178.99 -47.8 0.09 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.566 1.166 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 10.9 t30 170.06 77.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 175.67 -37.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 597' ' ' ASN . . . . . 0.409 ' O ' ' HA ' ' A' ' 592' ' ' ASN . 17.5 m-20 -118.43 118.94 33.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 51.3 m95 -123.25 140.88 52.56 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 107.97 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -129.55 66.91 1.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 600' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.9 -74.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.015 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 601' ' ' ASN . . . . . . . . . . . . . 14.9 t30 170.73 -37.32 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 179.9 -49.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 603' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -177.95 -39.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 110.374 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.92 9.54 30.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 605' ' ' ASN . . . . . 0.409 ' OD1' ' HB2' ' A' ' 590' ' ' ALA . 0.1 OUTLIER 40.07 -150.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 606' ' ' TYR . . . . . 0.62 ' CB ' ' CZ ' ' A' ' 608' ' ' PHE . 12.8 m-85 -111.39 160.9 16.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 4.8 mp -109.52 119.87 40.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 608' ' ' PHE . . . . . 0.62 ' CZ ' ' CB ' ' A' ' 606' ' ' TYR . 34.1 m-85 -125.05 141.35 52.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 111.044 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 609' ' ' SER . . . . . 0.449 ' O ' HG13 ' A' ' 536' ' ' VAL . 28.1 t -111.72 170.11 8.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.036 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 610' ' ' THR . . . . . 0.879 HG23 HD11 ' A' ' 581' ' ' ILE . 74.9 p -46.15 167.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.37 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 107.92 -150.74 16.95 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 612' ' ' THR . . . . . 0.507 HG21 ' HA ' ' A' ' 630' ' ' ALA . 17.6 m -114.71 135.54 54.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 0.753 . . . . 0.0 110.393 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.68 157.8 45.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 614' ' ' THR . . . . . 0.525 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 3.6 m -133.63 112.4 11.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.378 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 615' ' ' TYR . . . . . 0.427 ' HA ' HG23 ' A' ' 626' ' ' ILE . 2.5 t80 -100.03 115.22 29.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 52.1 m -108.53 100.78 39.98 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.389 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 160.82 39.73 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.497 1.788 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . -80.0 -158.68 16.86 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.36 -50.32 1.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 0.78 . . . . 0.0 110.005 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 620' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -99.02 67.37 1.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . 39.32 50.29 2.92 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.534 1.146 . . . . 0.0 111.033 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 622' ' ' ALA . . . . . . . . . . . . . . . -123.08 104.68 9.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -40.1 151.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 624' ' ' GLY . . . . . . . . . . . . . . . -115.97 -132.69 5.11 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.535 1.147 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 6.2 p -151.21 164.85 35.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 0.754 . . . . 0.0 110.352 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 626' ' ' ILE . . . . . 0.525 ' HA ' ' O ' ' A' ' 614' ' ' THR . 0.2 OUTLIER -120.82 124.0 71.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.76 122.37 46.61 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.462 1.101 . . . . 0.0 110.26 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.67 147.03 37.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.395 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 111.59 139.9 8.0 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 111.029 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.507 ' HA ' HG21 ' A' ' 612' ' ' THR . . . -63.13 113.88 10.83 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 631' ' ' PRO . . . . . 0.494 ' HG2' ' CD2' ' A' ' 539' ' ' TYR . 18.4 Cg_endo -74.98 166.32 29.46 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.501 1.79 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 99.6 p -139.9 84.72 1.99 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.004 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 633' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . -167.54 66.19 0.19 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 532' ' ' THR . . . . . 0.409 ' HB ' ' OD2' ' A' ' 580' ' ' ASP . 2.1 p -137.06 128.1 27.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 0.76 . . . . 0.0 110.364 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -168.84 -47.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.436 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 534' ' ' ASN . . . . . 0.445 ' O ' ' HA ' ' A' ' 580' ' ' ASP . 1.6 m-20 -99.27 178.94 4.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 535' ' ' LYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 579' ' ' VAL . 0.0 OUTLIER -145.69 156.4 43.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 536' ' ' VAL . . . . . 0.781 HG22 ' O ' ' A' ' 579' ' ' VAL . 13.3 m -125.02 119.27 55.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 16.3 m -100.39 121.87 42.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.345 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 538' ' ' VAL . . . . . 0.472 HG13 ' OG ' ' A' ' 613' ' ' SER . 1.6 t -124.89 127.76 72.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 539' ' ' TYR . . . . . 0.519 ' CD2' ' HG2' ' A' ' 631' ' ' PRO . 3.4 m-85 -107.92 130.2 55.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.965 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 540' ' ' TYR . . . . . 0.538 ' CE1' ' O ' ' A' ' 541' ' ' LYS . 1.2 t80 -125.53 138.22 53.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 541' ' ' LYS . . . . . 0.538 ' O ' ' CE1' ' A' ' 540' ' ' TYR . 12.5 tttt -89.55 114.11 25.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 542' ' ' LYS . . . . . 0.433 ' HA ' ' HA3' ' A' ' 543' ' ' GLY . 0.0 OUTLIER -103.42 143.89 32.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 543' ' ' GLY . . . . . 0.433 ' HA3' ' HA ' ' A' ' 542' ' ' LYS . . . 147.31 -119.85 1.17 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -0.009 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -106.71 -85.17 0.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 0.748 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -151.47 -51.58 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 546' ' ' SER . . . . . 0.455 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 0.6 OUTLIER -166.98 62.06 0.64 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.989 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 547' ' ' PRO . . . . . 0.455 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.3 Cg_endo -74.99 145.03 30.98 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.505 1.792 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -95.76 161.53 13.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.958 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 549' ' ' ILE . . . . . 0.642 HD12 ' CG ' ' A' ' 566' ' ' MET . 0.1 OUTLIER -129.89 135.2 61.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 550' ' ' HIS . . . . . 0.731 ' CE1' ' HB2' ' A' ' 561' ' ' ALA . 11.2 t-160 -115.23 115.0 25.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 109.565 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 551' ' ' TYR . . . . . 0.804 ' CE2' HD13 ' A' ' 577' ' ' ILE . 0.1 OUTLIER -126.22 160.83 29.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 552' ' ' ARG . . . . . 0.504 ' NE ' ' NE1' ' A' ' 558' ' ' TRP . 0.0 OUTLIER -143.97 140.88 17.57 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.341 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 553' ' ' PRO . . . . . 0.485 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.3 Cg_endo -74.98 138.95 23.74 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.539 1.81 . . . . 0.0 111.014 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 554' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 586' ' ' GLN . . . -69.82 60.83 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 555' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 553' ' ' PRO . . . 147.73 39.3 0.04 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.54 1.15 . . . . 0.0 111.038 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 556' ' ' GLY . . . . . 0.43 ' HA3' ' HG2' ' A' ' 553' ' ' PRO . . . -145.35 -93.62 0.15 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 557' ' ' SER . . . . . 0.485 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 35.9 t -177.86 -173.62 0.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 0.737 . . . . 0.0 110.02 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 558' ' ' TRP . . . . . 0.504 ' NE1' ' NE ' ' A' ' 552' ' ' ARG . 52.6 m95 -99.58 112.64 24.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 108.038 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 559' ' ' THR . . . . . 0.535 HG22 ' H ' ' A' ' 560' ' ' ALA . 18.8 m -48.52 175.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 560' ' ' ALA . . . . . 0.535 ' H ' HG22 ' A' ' 559' ' ' THR . . . -72.37 107.0 4.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 561' ' ' ALA . . . . . 0.731 ' HB2' ' CE1' ' A' ' 550' ' ' HIS . . . -71.04 134.56 85.41 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 562' ' ' PRO . . . . . 0.508 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.3 Cg_endo -74.96 150.15 94.99 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.055 -2.477 . . . . 0.0 111.001 -0.017 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 563' ' ' GLY . . . . . 0.508 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -46.65 -106.61 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.424 1.078 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 564' ' ' VAL . . . . . 0.475 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.1 t -136.83 158.12 36.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 0.761 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 565' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 566' ' ' MET . 0.4 OUTLIER -82.29 120.4 25.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 566' ' ' MET . . . . . 0.642 ' CG ' HD12 ' A' ' 549' ' ' ILE . 0.0 OUTLIER -37.57 141.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 111.025 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 567' ' ' GLN . . . . . 0.441 ' O ' ' O ' ' A' ' 576' ' ' LYS . 0.7 OUTLIER -104.53 119.44 38.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.307 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.79 148.58 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.474 ' HB1' ' CE2' ' A' ' 539' ' ' TYR . . . -89.29 -141.58 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -132.09 9.55 4.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 571' ' ' ILE . . . . . 0.443 ' O ' ' CB ' ' A' ' 572' ' ' SER . 72.4 mt -81.68 -82.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 572' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 571' ' ' ILE . 1.5 t 163.99 92.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.993 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 93.44 6.74 62.45 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.551 1.157 . . . . 0.0 110.985 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -103.84 160.37 14.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 0.784 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 575' ' ' ALA . . . . . 0.568 ' HB1' ' SD ' ' A' ' 566' ' ' MET . . . -120.81 156.42 31.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 576' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' A' ' 567' ' ' GLN . 2.3 ptmm? -152.42 154.59 35.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 577' ' ' ILE . . . . . 0.804 HD13 ' CE2' ' A' ' 551' ' ' TYR . 0.9 OUTLIER -143.42 152.02 16.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 578' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 5.5 m -129.33 127.68 41.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.426 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 579' ' ' VAL . . . . . 0.781 ' O ' HG22 ' A' ' 536' ' ' VAL . 2.7 t -130.38 135.38 60.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 580' ' ' ASP . . . . . 0.471 ' C ' HG23 ' A' ' 581' ' ' ILE . 25.3 t0 -79.15 150.74 31.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 581' ' ' ILE . . . . . 0.919 HD11 HG23 ' A' ' 610' ' ' THR . 40.2 pt -155.3 48.75 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -45.53 -57.24 5.94 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.45 28.66 5.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 0.0 110.027 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 584' ' ' ALA . . . . . 0.787 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -134.21 139.7 45.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 8.4 p -111.02 -4.16 15.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 110.001 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 586' ' ' GLN . . . . . 0.754 ' HB3' HD23 ' A' ' 607' ' ' LEU . 5.6 mt-30 -152.01 137.74 17.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.67 HD21 ' HB2' ' A' ' 551' ' ' TYR . 5.3 tt -135.03 127.78 31.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 588' ' ' GLU . . . . . 0.473 ' O ' ' HA ' ' A' ' 551' ' ' TYR . 5.4 pm0 -89.2 143.15 27.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.321 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 589' ' ' ALA . . . . . 0.528 ' CB ' ' HB3' ' A' ' 551' ' ' TYR . . . -141.73 138.0 32.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.609 ' HB1' ' HB3' ' A' ' 600' ' ' SER . . . -121.67 158.64 28.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 591' ' ' PHE . . . . . 0.798 ' CZ ' ' CD2' ' A' ' 615' ' ' TYR . 65.8 m-85 -118.64 128.45 54.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -153.39 135.71 14.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.82 -19.98 65.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 95.77 6.83 59.22 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.447 1.092 . . . . 0.0 110.96 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -131.17 63.21 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 109.333 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 49.94 50.15 18.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -142.97 71.77 1.35 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -95.55 142.07 28.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 107.971 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -127.27 19.5 6.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 600' ' ' SER . . . . . 0.609 ' HB3' ' HB1' ' A' ' 590' ' ' ALA . 60.7 p -66.45 -98.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.013 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 601' ' ' ASN . . . . . 0.491 ' O ' ' CB ' ' A' ' 602' ' ' ASN . 1.2 t30 -167.84 31.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 602' ' ' ASN . . . . . 0.491 ' CB ' ' O ' ' A' ' 601' ' ' ASN . 17.4 t30 81.99 -54.37 0.24 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 603' ' ' THR . . . . . 0.623 ' O ' HG23 ' A' ' 603' ' ' THR . 2.8 t -176.4 34.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.382 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 604' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 605' ' ' ASN . 0.0 OUTLIER -121.13 -39.04 2.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.178 . . . . 0.0 109.284 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 605' ' ' ASN . . . . . 0.429 ' O ' ' O ' ' A' ' 604' ' ' LYS . 0.0 OUTLIER 41.4 -163.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 606' ' ' TYR . . . . . 0.636 ' OH ' ' HB1' ' A' ' 623' ' ' ALA . 75.2 m-85 -130.31 142.56 50.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 607' ' ' LEU . . . . . 0.754 HD23 ' HB3' ' A' ' 586' ' ' GLN . 6.6 mp -99.22 130.76 45.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 608' ' ' PHE . . . . . 0.753 ' HE1' HD13 ' A' ' 626' ' ' ILE . 6.8 m-85 -121.76 144.99 48.48 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 110.971 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 609' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 610' ' ' THR . 42.8 t -110.29 163.84 13.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.977 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 610' ' ' THR . . . . . 0.919 HG23 HD11 ' A' ' 581' ' ' ILE . 35.1 p -38.81 158.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.383 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 112.68 -156.18 15.77 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.541 1.151 . . . . 0.0 111.005 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 612' ' ' THR . . . . . 0.605 HG21 ' HB2' ' A' ' 630' ' ' ALA . 2.1 m -116.16 124.48 50.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 0.743 . . . . 0.0 110.382 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 613' ' ' SER . . . . . 0.472 ' OG ' HG13 ' A' ' 538' ' ' VAL . 81.5 p -132.21 157.35 44.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.989 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 614' ' ' THR . . . . . 0.451 ' CG2' ' HG3' ' A' ' 631' ' ' PRO . 5.8 m -134.14 114.51 13.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.404 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 615' ' ' TYR . . . . . 0.798 ' CD2' ' CZ ' ' A' ' 591' ' ' PHE . 54.5 t80 -97.92 113.6 25.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 60.5 m -113.69 102.23 54.59 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 110.404 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 176.11 10.36 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.531 1.806 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . -91.15 -156.13 32.39 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 91.1 p -135.58 35.08 2.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.784 . . . . 0.0 110.014 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 620' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 621' ' ' GLY . 18.0 t-20 178.42 64.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 621' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 620' ' ' ASN . . . 37.38 47.3 1.52 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 622' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 623' ' ' ALA . . . -123.6 104.98 9.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 0.778 . . . . 0.0 109.267 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 623' ' ' ALA . . . . . 0.636 ' HB1' ' OH ' ' A' ' 606' ' ' TYR . . . -38.8 119.95 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 624' ' ' GLY . . . . . 0.422 ' C ' ' CG2' ' A' ' 625' ' ' THR . . . -80.81 -128.36 0.83 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.458 1.098 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 625' ' ' THR . . . . . 0.422 ' CG2' ' C ' ' A' ' 624' ' ' GLY . 42.1 p -151.54 162.64 40.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 0.747 . . . . 0.0 110.398 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 626' ' ' ILE . . . . . 0.753 HD13 ' HE1' ' A' ' 608' ' ' PHE . 0.0 OUTLIER -121.33 136.63 57.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.05 122.79 38.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.165 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.18 148.88 37.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.419 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 107.58 141.58 9.97 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.481 1.113 . . . . 0.0 111.04 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.605 ' HB2' HG21 ' A' ' 612' ' ' THR . . . -59.6 118.15 28.9 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.451 0.736 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 631' ' ' PRO . . . . . 0.519 ' HG2' ' CD2' ' A' ' 539' ' ' TYR . 18.2 Cg_endo -75.03 155.69 42.8 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.502 1.79 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.33 79.36 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.969 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 633' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.549 1.156 . . . . 0.0 111.0 -179.954 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 531' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 532' ' ' THR . . . -139.57 -144.84 4.61 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 532' ' ' THR . . . . . 0.561 HG21 ' HB3' ' A' ' 580' ' ' ASP . 22.2 p 38.63 -159.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 0.0 110.374 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 5.1 m -154.35 -76.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.359 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 534' ' ' ASN . . . . . 0.865 ' HB3' HG21 ' A' ' 610' ' ' THR . 1.1 t-20 -70.11 171.49 9.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 535' ' ' LYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 579' ' ' VAL . 0.4 OUTLIER -146.05 158.92 43.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 536' ' ' VAL . . . . . 0.669 HG13 ' HA ' ' A' ' 610' ' ' THR . 0.5 OUTLIER -123.65 124.35 69.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 2.9 m -100.61 124.13 45.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.414 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 1.4 t -126.02 126.62 70.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.35 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 539' ' ' TYR . . . . . 0.666 ' HB3' HG23 ' A' ' 614' ' ' THR . 2.5 m-85 -110.55 128.94 55.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 540' ' ' TYR . . . . . 0.618 ' CE1' ' O ' ' A' ' 541' ' ' LYS . 3.0 t80 -119.54 138.98 52.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 541' ' ' LYS . . . . . 0.618 ' O ' ' CE1' ' A' ' 540' ' ' TYR . 9.6 tttp -93.77 132.02 38.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 542' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 543' ' ' GLY . 0.1 OUTLIER -80.62 137.66 36.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 543' ' ' GLY . . . . . 0.432 ' N ' ' HG3' ' A' ' 542' ' ' LYS . . . 154.42 -133.13 3.75 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 -0.003 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -152.02 -82.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 0.786 . . . . 0.0 111.042 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 545' ' ' ASN . . . . . 0.556 ' O ' ' CB ' ' A' ' 546' ' ' SER . 9.7 m-80 -147.82 24.63 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 546' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' A' ' 545' ' ' ASN . 1.2 m 90.13 72.16 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.992 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 149.52 36.55 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 548' ' ' TYR . . . . . 0.491 ' CE2' ' HB2' ' A' ' 565' ' ' LYS . 7.8 m-85 -91.6 156.93 17.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 549' ' ' ILE . . . . . 0.963 HG23 ' O ' ' A' ' 590' ' ' ALA . 3.7 mt -126.34 144.96 34.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 550' ' ' HIS . . . . . 0.435 ' CE1' ' HE3' ' A' ' 558' ' ' TRP . 2.9 t60 -129.33 116.36 18.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.593 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 551' ' ' TYR . . . . . 0.497 ' CD2' HG22 ' A' ' 549' ' ' ILE . 0.1 OUTLIER -125.73 159.19 32.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.959 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 552' ' ' ARG . . . . . 0.571 ' NE ' ' CD1' ' A' ' 558' ' ' TRP . 4.4 ttm180 -137.71 132.0 17.27 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 553' ' ' PRO . . . . . 0.568 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.2 Cg_endo -75.01 159.6 41.13 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.458 1.767 . . . . 0.0 110.96 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -45.22 -26.77 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 555' ' ' GLY . . . . . 0.418 ' N ' ' C ' ' A' ' 553' ' ' PRO . . . -60.28 -19.29 52.1 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.442 1.089 . . . . 0.0 111.039 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 556' ' ' GLY . . . . . 0.496 ' O ' ' NH2' ' A' ' 552' ' ' ARG . . . 82.13 40.87 9.86 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 557' ' ' SER . . . . . 0.568 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 0.0 OUTLIER -110.15 137.73 47.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 110.021 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 558' ' ' TRP . . . . . 0.571 ' CD1' ' NE ' ' A' ' 552' ' ' ARG . 92.5 m95 -120.37 102.54 8.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 108.026 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 559' ' ' THR . . . . . 0.502 HG22 ' N ' ' A' ' 560' ' ' ALA . 32.3 m -45.12 171.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 110.375 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 560' ' ' ALA . . . . . 0.502 ' N ' HG22 ' A' ' 559' ' ' THR . . . -61.24 107.63 0.79 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 561' ' ' ALA . . . . . 0.487 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -64.07 132.28 95.24 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 562' ' ' PRO . . . . . 0.56 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.4 Cg_endo -75.0 145.22 83.34 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 120.989 -2.505 . . . . 0.0 111.016 -0.049 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 563' ' ' GLY . . . . . 0.56 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -32.06 -99.88 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 564' ' ' VAL . . . . . 0.425 ' HB ' ' OH ' ' A' ' 551' ' ' TYR . 1.3 t -137.82 157.6 32.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 565' ' ' LYS . . . . . 0.491 ' HB2' ' CE2' ' A' ' 548' ' ' TYR . 0.1 OUTLIER -89.71 107.1 18.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 566' ' ' MET . . . . . 0.899 ' CE ' HD12 ' A' ' 549' ' ' ILE . 0.0 OUTLIER -33.12 137.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 567' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.81 127.05 52.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.78 149.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.65 ' HB2' ' HB3' ' A' ' 576' ' ' LYS . . . -87.39 -136.91 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -132.28 7.48 4.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 571' ' ' ILE . . . . . . . . . . . . . 4.6 mm -84.04 -85.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 169.37 97.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.978 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 88.82 8.18 70.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.89 159.65 15.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 575' ' ' ALA . . . . . 0.531 ' HB1' ' HB3' ' A' ' 566' ' ' MET . . . -115.47 152.72 32.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 576' ' ' LYS . . . . . 0.65 ' HB3' ' HB2' ' A' ' 569' ' ' ALA . 0.2 OUTLIER -152.67 133.97 14.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 577' ' ' ILE . . . . . 0.96 HD12 ' N ' ' A' ' 578' ' ' THR . 0.2 OUTLIER -134.17 152.22 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 578' ' ' THR . . . . . 0.96 ' N ' HD12 ' A' ' 577' ' ' ILE . 30.1 m -126.45 136.08 52.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.376 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 579' ' ' VAL . . . . . 0.745 HG23 ' CD1' ' A' ' 577' ' ' ILE . 42.1 t -132.13 128.19 58.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 580' ' ' ASP . . . . . 0.561 ' HB3' HG21 ' A' ' 532' ' ' THR . 0.2 OUTLIER -86.29 148.86 25.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 581' ' ' ILE . . . . . 0.893 ' HB ' ' HB3' ' A' ' 584' ' ' ALA . 44.2 pt -157.53 50.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -54.06 -22.57 21.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.542 1.151 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.37 36.87 4.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 0.775 . . . . 0.0 110.024 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 584' ' ' ALA . . . . . 0.893 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -160.25 142.29 12.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.04 0.41 15.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.994 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -147.63 138.67 23.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 110.314 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.577 ' CD1' HG11 ' A' ' 579' ' ' VAL . 0.5 OUTLIER -144.22 130.25 19.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 588' ' ' GLU . . . . . 0.468 ' HA ' ' O ' ' A' ' 606' ' ' TYR . 2.0 pm0 -89.93 145.05 25.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 589' ' ' ALA . . . . . 0.499 ' HB3' ' HE2' ' A' ' 608' ' ' PHE . . . -134.9 149.34 50.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.963 ' O ' HG23 ' A' ' 549' ' ' ILE . . . -137.28 157.45 46.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 591' ' ' PHE . . . . . 0.733 ' CD2' ' CZ ' ' A' ' 615' ' ' TYR . 1.3 m-85 -122.75 127.99 49.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -148.13 136.25 21.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -25.92 64.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 95.98 33.51 6.3 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.466 1.104 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 44.8 p-10 -149.93 40.3 0.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 109.34 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 39.4 t30 72.59 34.53 1.22 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -129.9 69.22 1.43 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 13.8 m95 -90.96 149.76 21.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 108.024 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -127.41 49.26 2.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 600' ' ' SER . . . . . 0.514 ' O ' ' CB ' ' A' ' 601' ' ' ASN . 0.3 OUTLIER -89.19 17.91 5.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.045 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 601' ' ' ASN . . . . . 0.514 ' CB ' ' O ' ' A' ' 600' ' ' SER . 0.2 OUTLIER 84.05 -55.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 167.67 -65.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 603' ' ' THR . . . . . . . . . . . . . 29.7 m -157.59 56.01 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 110.364 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 604' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' A' ' 605' ' ' ASN . 0.0 OUTLIER -177.71 73.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 605' ' ' ASN . . . . . 0.418 ' O ' ' O ' ' A' ' 604' ' ' LYS . 2.7 m120 -51.89 -175.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 606' ' ' TYR . . . . . 0.61 ' C ' HD23 ' A' ' 607' ' ' LEU . 97.2 m-85 -107.21 163.82 12.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 607' ' ' LEU . . . . . 0.63 ' N ' HD23 ' A' ' 607' ' ' LEU . 0.0 OUTLIER -115.2 122.39 45.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 608' ' ' PHE . . . . . 0.679 ' CE1' ' CD1' ' A' ' 626' ' ' ILE . 9.0 m-85 -126.21 146.01 50.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 609' ' ' SER . . . . . 0.492 ' O ' HG13 ' A' ' 536' ' ' VAL . 32.2 t -111.76 166.2 11.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.044 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 610' ' ' THR . . . . . 0.865 HG21 ' HB3' ' A' ' 534' ' ' ASN . 40.8 p -50.34 166.01 0.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 110.433 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 115.88 -155.0 16.54 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.106 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 612' ' ' THR . . . . . 0.619 HG21 ' CA ' ' A' ' 630' ' ' ALA . 36.7 m -112.19 127.64 56.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 0.753 . . . . 0.0 110.384 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 1.4 t -142.52 157.77 44.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 614' ' ' THR . . . . . 0.666 HG23 ' HB3' ' A' ' 539' ' ' TYR . 20.6 m -133.51 118.43 18.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.143 . . . . 0.0 110.407 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 615' ' ' TYR . . . . . 0.733 ' CZ ' ' CD2' ' A' ' 591' ' ' PHE . 0.1 OUTLIER -99.02 113.46 25.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.972 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 52.6 m -110.53 108.14 58.27 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.351 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 168.28 25.17 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . -110.64 -155.79 14.53 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 2.8 m -128.25 151.48 49.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 0.75 . . . . 0.0 109.989 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 620' ' ' ASN . . . . . . . . . . . . . 4.4 m120 60.96 59.34 2.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . 39.06 55.16 2.39 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 622' ' ' ALA . . . . . . . . . . . . . . . -121.83 104.67 9.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 0.728 . . . . 0.0 109.269 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -41.99 149.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 624' ' ' GLY . . . . . . . . . . . . . . . -108.73 -135.09 7.35 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 21.4 p -151.61 159.36 44.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 110.399 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 626' ' ' ILE . . . . . 0.679 ' CD1' ' CE1' ' A' ' 608' ' ' PHE . 0.2 OUTLIER -114.56 132.09 64.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.352 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -115.81 121.44 42.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.29 146.67 36.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 110.406 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 109.25 140.94 9.11 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.619 ' CA ' HG21 ' A' ' 612' ' ' THR . . . -59.66 120.31 48.15 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 631' ' ' PRO . . . . . 0.553 ' HG2' ' CD2' ' A' ' 539' ' ' TYR . 18.4 Cg_endo -75.04 154.77 42.52 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.521 1.801 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 23.6 t -149.82 76.11 1.28 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.011 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 633' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.52 1.138 . . . . 0.0 110.977 -179.978 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . -80.2 128.22 8.37 Favored Glycine 0 CA--C 1.529 0.969 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 532' ' ' THR . . . . . 0.406 HG23 ' H ' ' A' ' 532' ' ' THR . 44.7 p -56.73 -174.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.439 0.729 . . . . 0.0 110.378 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 16.1 m -161.75 -43.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.39 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -104.39 169.38 8.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 535' ' ' LYS . . . . . 0.572 ' HD2' HG21 ' A' ' 578' ' ' THR . 15.3 mtmt -147.0 142.88 27.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 536' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 579' ' ' VAL . 2.2 t -116.29 131.05 69.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 80.0 m -101.24 122.02 42.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.396 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -125.47 124.39 66.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 539' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -112.88 124.53 52.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 111.052 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 540' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -121.56 139.7 53.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 3.0 tttm -92.73 112.89 25.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 542' ' ' LYS . . . . . 0.45 ' HA ' ' HA3' ' A' ' 543' ' ' GLY . 7.4 ttpt -86.01 143.38 28.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 543' ' ' GLY . . . . . 0.45 ' HA3' ' HA ' ' A' ' 542' ' ' LYS . . . 140.97 -125.66 2.88 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.521 1.138 . . . . 0.0 110.955 -0.104 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 544' ' ' PHE . . . . . 0.544 ' CD1' ' HG3' ' A' ' 547' ' ' PRO . 4.1 m-85 -116.36 -125.15 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.749 . . . . 0.0 111.035 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -106.72 -51.43 2.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 546' ' ' SER . . . . . 0.427 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 41.2 m -171.32 63.6 0.38 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.023 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 547' ' ' PRO . . . . . 0.544 ' HG3' ' CD1' ' A' ' 544' ' ' PHE . 18.5 Cg_endo -74.97 146.42 32.76 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 548' ' ' TYR . . . . . 0.56 ' CE2' ' HG3' ' A' ' 565' ' ' LYS . 1.8 m-85 -95.98 161.1 14.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 549' ' ' ILE . . . . . 0.654 HD11 ' HB1' ' A' ' 589' ' ' ALA . 0.8 OUTLIER -124.28 142.68 40.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.26 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 550' ' ' HIS . . . . . 0.411 ' CE1' ' HE3' ' A' ' 558' ' ' TRP . 2.2 t60 -130.34 117.35 19.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.613 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 551' ' ' TYR . . . . . 0.804 ' HB2' HD21 ' A' ' 587' ' ' LEU . 0.1 OUTLIER -120.32 160.06 23.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 552' ' ' ARG . . . . . 0.574 ' HD3' ' CD1' ' A' ' 558' ' ' TRP . 1.2 ttp85 -133.49 135.33 24.98 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.324 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 553' ' ' PRO . . . . . 0.508 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.2 Cg_endo -74.98 153.16 41.7 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.484 1.781 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 554' ' ' ALA . . . . . 0.402 ' HB2' ' O ' ' A' ' 586' ' ' GLN . . . -48.38 -24.29 1.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.246 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -53.05 -20.02 8.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.465 1.103 . . . . 0.0 111.031 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 89.1 21.98 40.01 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 557' ' ' SER . . . . . 0.545 ' O ' ' CG ' ' A' ' 552' ' ' ARG . 0.1 OUTLIER -103.75 169.62 8.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 0.786 . . . . 0.0 110.006 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 558' ' ' TRP . . . . . 0.574 ' CD1' ' HD3' ' A' ' 552' ' ' ARG . 87.9 m95 -135.95 117.95 15.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 107.992 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 559' ' ' THR . . . . . 0.428 HG22 ' N ' ' A' ' 560' ' ' ALA . 84.8 m -59.37 169.96 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.419 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 560' ' ' ALA . . . . . 0.428 ' N ' HG22 ' A' ' 559' ' ' THR . . . -56.89 108.47 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 561' ' ' ALA . . . . . 0.483 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -78.18 132.59 66.32 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 562' ' ' PRO . . . . . 0.491 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.1 Cg_endo -75.06 145.23 83.29 Favored 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 120.989 -2.504 . . . . 0.0 110.969 0.085 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 563' ' ' GLY . . . . . 0.491 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -38.3 -99.23 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.52 1.138 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 564' ' ' VAL . . . . . 0.532 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 2.2 t -137.31 159.13 35.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 0.78 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 565' ' ' LYS . . . . . 0.56 ' HG3' ' CE2' ' A' ' 548' ' ' TYR . 0.0 OUTLIER -84.93 112.8 20.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 566' ' ' MET . . . . . 0.6 ' HG2' HG21 ' A' ' 549' ' ' ILE . 0.0 OUTLIER -35.43 133.3 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 111.04 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 567' ' ' GLN . . . . . 0.438 ' O ' ' O ' ' A' ' 576' ' ' LYS . 19.0 mt-30 -100.51 115.0 29.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 568' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 567' ' ' GLN . 0.3 OUTLIER -39.22 149.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -82.33 -146.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -124.15 3.18 8.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 571' ' ' ILE . . . . . 0.596 HG22 ' N ' ' A' ' 572' ' ' SER . 76.0 mt -82.65 -93.66 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 572' ' ' SER . . . . . 0.596 ' N ' HG22 ' A' ' 571' ' ' ILE . 5.8 t 177.9 94.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.011 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 96.03 9.73 56.87 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -103.98 158.51 16.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 575' ' ' ALA . . . . . . . . . . . . . . . -116.71 152.19 34.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 576' ' ' LYS . . . . . 0.438 ' O ' ' O ' ' A' ' 567' ' ' GLN . 0.0 OUTLIER -152.04 128.98 10.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 577' ' ' ILE . . . . . 0.944 HD11 HG23 ' A' ' 579' ' ' VAL . 0.2 OUTLIER -131.33 152.23 36.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 578' ' ' THR . . . . . 0.925 ' N ' HD12 ' A' ' 577' ' ' ILE . 65.6 m -115.8 141.75 47.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.37 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 579' ' ' VAL . . . . . 0.944 HG23 HD11 ' A' ' 577' ' ' ILE . 82.8 t -130.83 119.25 44.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.38 125.76 31.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 581' ' ' ILE . . . . . 1.014 HD11 HG23 ' A' ' 610' ' ' THR . 37.1 pt -137.36 49.18 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -55.0 -20.8 21.6 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.556 1.16 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.86 39.47 3.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 0.767 . . . . 0.0 110.038 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 584' ' ' ALA . . . . . 0.843 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -153.55 143.9 22.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 93.2 p -111.56 -3.53 15.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 110.036 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 586' ' ' GLN . . . . . 0.402 ' O ' ' HB2' ' A' ' 554' ' ' ALA . 86.5 mt-30 -151.33 138.49 19.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.881 HD22 HG11 ' A' ' 579' ' ' VAL . 5.8 tt -146.83 126.57 13.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 588' ' ' GLU . . . . . 0.511 ' HA ' ' O ' ' A' ' 606' ' ' TYR . 1.5 pm0 -91.42 144.18 25.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 110.28 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 589' ' ' ALA . . . . . 0.654 ' HB1' HD11 ' A' ' 549' ' ' ILE . . . -133.55 134.76 43.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -119.53 164.0 16.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 591' ' ' PHE . . . . . 0.816 ' CE1' ' CD2' ' A' ' 615' ' ' TYR . 35.0 m-85 -122.4 127.3 49.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 592' ' ' ASN . . . . . 0.408 ' HA ' ' O ' ' A' ' 597' ' ' ASN . 8.9 p30 -141.75 136.37 30.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.249 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -54.14 -43.3 70.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 594' ' ' GLY . . . . . 0.48 ' O ' ' CB ' ' A' ' 595' ' ' ASN . . . 170.79 39.56 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 595' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 594' ' ' GLY . 12.8 t-20 80.48 84.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 0.753 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 596' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' A' ' 595' ' ' ASN . 1.2 m-20 160.38 -27.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 597' ' ' ASN . . . . . 0.408 ' O ' ' HA ' ' A' ' 592' ' ' ASN . 1.2 t-20 -138.95 90.25 2.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 26.1 m95 -97.15 142.7 28.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.122 . . . . 0.0 108.003 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -119.27 44.67 2.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.353 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 600' ' ' SER . . . . . . . . . . . . . 86.2 p -89.22 36.91 0.84 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.992 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 601' ' ' ASN . . . . . 0.509 ' O ' ' CB ' ' A' ' 602' ' ' ASN . 51.4 t30 61.21 24.68 14.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 602' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' A' ' 601' ' ' ASN . 3.8 t-20 82.52 -51.41 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 603' ' ' THR . . . . . 0.413 ' O ' ' HB2' ' A' ' 604' ' ' LYS . 1.8 m -162.49 153.48 17.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.389 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 604' ' ' LYS . . . . . 0.448 ' O ' ' O ' ' A' ' 605' ' ' ASN . 1.6 mmtt 73.63 71.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 605' ' ' ASN . . . . . 0.497 ' H ' ' ND2' ' A' ' 605' ' ' ASN . 2.8 m-80 -55.54 -163.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.254 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 606' ' ' TYR . . . . . 0.601 ' CB ' ' CZ ' ' A' ' 608' ' ' PHE . 42.7 m-85 -110.07 163.13 13.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 607' ' ' LEU . . . . . 0.845 HD13 ' N ' ' A' ' 607' ' ' LEU . 0.0 OUTLIER -119.2 121.45 39.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 608' ' ' PHE . . . . . 0.601 ' CZ ' ' CB ' ' A' ' 606' ' ' TYR . 11.8 m-85 -127.28 143.47 51.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 9.9 t -112.15 169.35 8.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.962 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 610' ' ' THR . . . . . 1.014 HG23 HD11 ' A' ' 581' ' ' ILE . 44.9 p -42.57 164.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.423 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 110.78 -145.86 17.47 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 612' ' ' THR . . . . . 0.434 HG21 ' CA ' ' A' ' 630' ' ' ALA . 25.3 m -121.3 134.58 55.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 0.756 . . . . 0.0 110.408 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 10.0 m -142.23 157.54 44.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.016 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 614' ' ' THR . . . . . 0.475 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 7.2 m -132.99 115.01 14.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.399 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 615' ' ' TYR . . . . . 0.816 ' CD2' ' CE1' ' A' ' 591' ' ' PHE . 90.0 t80 -97.36 114.01 25.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.528 1.143 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 85.8 m -120.13 99.5 48.56 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.332 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 170.09 21.19 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.485 1.782 . . . . 0.0 110.983 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . -98.82 -157.58 29.41 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 619' ' ' SER . . . . . 0.426 ' O ' ' CB ' ' A' ' 620' ' ' ASN . 1.0 OUTLIER -130.02 146.46 51.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 0.738 . . . . 0.0 110.026 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 620' ' ' ASN . . . . . 0.426 ' CB ' ' O ' ' A' ' 619' ' ' SER . 6.4 t30 76.76 45.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.339 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . 52.19 49.45 50.14 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 622' ' ' ALA . . . . . . . . . . . . . . . -123.01 104.82 9.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 0.764 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -40.64 147.43 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 624' ' ' GLY . . . . . . . . . . . . . . . -105.61 -134.38 7.87 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.539 1.149 . . . . 0.0 110.964 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 14.7 p -151.68 161.65 42.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 0.0 110.431 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 626' ' ' ILE . . . . . 0.58 HG23 ' HA ' ' A' ' 615' ' ' TYR . 0.1 OUTLIER -117.98 135.84 57.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.26 122.84 40.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.08 147.22 38.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.378 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 109.3 140.82 9.05 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.434 ' CA ' HG21 ' A' ' 612' ' ' THR . . . -59.71 118.69 33.99 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.46 0.741 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 172.91 15.45 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.505 1.792 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.84 78.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.922 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 633' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.506 1.129 . . . . 0.0 110.957 179.93 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . 58.99 97.8 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 532' ' ' THR . . . . . 0.516 HG22 ' N ' ' A' ' 533' ' ' THR . 31.3 m 60.01 172.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 0.794 . . . . 0.0 110.394 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 533' ' ' THR . . . . . 0.741 ' O ' HG22 ' A' ' 533' ' ' THR . 0.8 OUTLIER -170.84 86.06 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.395 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 534' ' ' ASN . . . . . 0.458 ' O ' ' HA ' ' A' ' 580' ' ' ASP . 1.1 t-20 -99.84 -177.77 3.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 535' ' ' LYS . . . . . 0.555 ' HB3' HG22 ' A' ' 578' ' ' THR . 10.8 mtmm -144.94 152.64 40.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 536' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 579' ' ' VAL . 34.1 m -119.55 115.03 46.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 90.0 m -100.82 121.22 41.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.382 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 538' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 576' ' ' LYS . 3.8 t -127.5 135.56 62.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 539' ' ' TYR . . . . . 0.543 ' CE1' ' HB2' ' A' ' 576' ' ' LYS . 4.2 m-85 -109.63 134.22 52.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 540' ' ' TYR . . . . . 0.581 ' CD1' ' CE2' ' A' ' 615' ' ' TYR . 1.8 t80 -118.58 139.24 51.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.412 1.07 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 541' ' ' LYS . . . . . 0.471 ' O ' ' CE1' ' A' ' 540' ' ' TYR . 0.1 OUTLIER -93.32 113.92 26.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 542' ' ' LYS . . . . . 0.501 ' HA ' ' HA3' ' A' ' 543' ' ' GLY . 6.7 ttpt -93.93 142.01 27.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.351 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 543' ' ' GLY . . . . . 0.501 ' HA3' ' HA ' ' A' ' 542' ' ' LYS . . . 143.38 -131.33 4.47 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.538 1.148 . . . . 0.0 110.959 -0.024 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 544' ' ' PHE . . . . . 0.518 ' CD1' ' N ' ' A' ' 544' ' ' PHE . 3.6 m-85 -118.03 -137.4 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.765 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -103.98 -49.04 3.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 41.3 m -139.55 68.45 38.13 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.988 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 141.67 26.87 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.482 1.78 . . . . 0.0 110.979 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 548' ' ' TYR . . . . . 0.519 ' CZ ' ' HB2' ' A' ' 565' ' ' LYS . 1.4 m-85 -124.72 150.57 46.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 110.959 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 549' ' ' ILE . . . . . 0.939 HG23 ' O ' ' A' ' 590' ' ' ALA . 3.6 mt -126.3 144.72 35.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 550' ' ' HIS . . . . . 0.406 ' CE1' ' HB2' ' A' ' 561' ' ' ALA . 19.3 t-160 -124.9 115.19 20.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.583 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 551' ' ' TYR . . . . . 0.567 ' HB2' HD21 ' A' ' 587' ' ' LEU . 0.1 OUTLIER -125.84 158.42 35.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 552' ' ' ARG . . . . . 0.536 ' CG ' ' O ' ' A' ' 557' ' ' SER . 0.0 OUTLIER -135.72 133.48 20.12 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.343 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 553' ' ' PRO . . . . . 0.544 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.2 Cg_endo -75.02 155.79 42.84 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.51 1.795 . . . . 0.0 110.972 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 554' ' ' ALA . . . . . 0.502 ' HB3' ' CB ' ' A' ' 584' ' ' ALA . . . -40.31 -30.05 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 555' ' ' GLY . . . . . 0.438 ' N ' ' C ' ' A' ' 553' ' ' PRO . . . -52.41 -23.0 11.85 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.496 1.122 . . . . 0.0 111.039 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 86.11 27.82 29.98 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 557' ' ' SER . . . . . 0.544 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 0.3 OUTLIER -100.63 140.2 35.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 0.728 . . . . 0.0 109.975 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 558' ' ' TRP . . . . . 0.535 ' CD2' ' HB2' ' A' ' 552' ' ' ARG . 90.6 m95 -122.4 97.46 5.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 108.001 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 559' ' ' THR . . . . . 0.487 ' CG2' ' N ' ' A' ' 560' ' ' ALA . 1.4 m -46.01 169.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.424 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 560' ' ' ALA . . . . . 0.487 ' N ' ' CG2' ' A' ' 559' ' ' THR . . . -55.33 109.68 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 561' ' ' ALA . . . . . 0.478 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -68.27 132.47 91.62 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 562' ' ' PRO . . . . . 0.498 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.3 Cg_endo -75.02 143.66 78.49 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 121.023 -2.49 . . . . 0.0 110.983 0.002 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 563' ' ' GLY . . . . . 0.498 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -35.11 -98.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.477 1.111 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 2.1 t -137.11 158.55 36.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 565' ' ' LYS . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 548' ' ' TYR . 1.2 ttpp -89.11 110.42 21.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 566' ' ' MET . . . . . 0.67 ' SD ' HG23 ' A' ' 577' ' ' ILE . 0.0 OUTLIER -36.25 141.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.98 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 567' ' ' GLN . . . . . 0.448 ' H ' HG22 ' A' ' 577' ' ' ILE . 1.6 mm-40 -105.79 133.84 49.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.29 150.01 0.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.803 ' HB2' ' HB3' ' A' ' 576' ' ' LYS . . . -94.89 -142.87 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.242 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -125.91 10.45 7.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 571' ' ' ILE . . . . . 0.428 ' O ' ' CB ' ' A' ' 572' ' ' SER . 17.4 mm -83.18 -83.4 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 572' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' A' ' 571' ' ' ILE . 0.6 OUTLIER 165.15 95.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 89.0 7.97 69.69 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -107.2 161.02 15.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 110.989 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 575' ' ' ALA . . . . . 0.613 ' HB1' ' HB3' ' A' ' 566' ' ' MET . . . -115.72 154.99 28.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 576' ' ' LYS . . . . . 0.803 ' HB3' ' HB2' ' A' ' 569' ' ' ALA . 0.0 OUTLIER -154.2 138.42 16.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 577' ' ' ILE . . . . . 0.67 HG23 ' SD ' ' A' ' 566' ' ' MET . 0.8 OUTLIER -134.71 152.08 32.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 578' ' ' THR . . . . . 0.555 HG22 ' HB3' ' A' ' 535' ' ' LYS . 4.9 m -128.89 129.13 45.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.421 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 579' ' ' VAL . . . . . 0.55 ' O ' HG22 ' A' ' 536' ' ' VAL . 2.2 t -127.61 130.86 70.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 580' ' ' ASP . . . . . 0.458 ' HA ' ' O ' ' A' ' 534' ' ' ASN . 21.7 t70 -78.72 149.38 32.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 581' ' ' ILE . . . . . 0.924 HD11 HG23 ' A' ' 610' ' ' THR . 40.3 pt -151.48 48.68 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 582' ' ' GLY . . . . . 0.503 ' CA ' ' HA ' ' A' ' 533' ' ' THR . . . -50.85 -29.81 20.38 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.89 36.69 4.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 0.737 . . . . 0.0 110.048 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 584' ' ' ALA . . . . . 0.838 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -151.96 139.46 19.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 51.2 m -116.67 6.25 13.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.011 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 586' ' ' GLN . . . . . 0.611 ' HB3' HD11 ' A' ' 607' ' ' LEU . 72.4 mt-30 -149.79 139.08 21.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 110.319 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.567 HD21 ' HB2' ' A' ' 551' ' ' TYR . 5.9 tt -141.36 128.0 20.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 588' ' ' GLU . . . . . 0.481 ' CG ' ' HB2' ' A' ' 605' ' ' ASN . 1.5 tt0 -89.68 146.67 24.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 589' ' ' ALA . . . . . . . . . . . . . . . -138.98 146.89 41.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.939 ' O ' HG23 ' A' ' 549' ' ' ILE . . . -137.81 153.81 49.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 591' ' ' PHE . . . . . 0.804 ' CE2' ' CD1' ' A' ' 615' ' ' TYR . 1.6 m-85 -115.94 127.56 55.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 592' ' ' ASN . . . . . 0.558 ' HB3' ' CE3' ' A' ' 598' ' ' TRP . 2.5 p30 -149.05 136.34 20.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -56.91 -53.87 53.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 594' ' ' GLY . . . . . 0.509 ' O ' ' CB ' ' A' ' 595' ' ' ASN . . . 178.37 38.38 0.06 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 595' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' A' ' 594' ' ' GLY . 8.8 t-20 82.42 86.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 596' ' ' ASN . . . . . 0.481 ' CB ' ' O ' ' A' ' 595' ' ' ASN . 2.8 m-20 157.44 -25.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -140.18 86.79 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.268 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 598' ' ' TRP . . . . . 0.558 ' CE3' ' HB3' ' A' ' 592' ' ' ASN . 39.2 m95 -96.85 124.17 40.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 108.036 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.93 -18.0 21.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 600' ' ' SER . . . . . 0.596 ' HB2' ' HB1' ' A' ' 590' ' ' ALA . 11.7 t -42.55 -69.33 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.004 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 601' ' ' ASN . . . . . 0.524 ' O ' ' CB ' ' A' ' 602' ' ' ASN . 5.9 m-20 157.45 -26.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 602' ' ' ASN . . . . . 0.524 ' CB ' ' O ' ' A' ' 601' ' ' ASN . 5.5 t30 83.31 -6.69 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 603' ' ' THR . . . . . 0.712 ' O ' HG23 ' A' ' 603' ' ' THR . 1.2 t -176.34 34.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.378 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 604' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 605' ' ' ASN . 2.4 tptt -171.49 46.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 605' ' ' ASN . . . . . 0.481 ' HB2' ' CG ' ' A' ' 588' ' ' GLU . 0.7 OUTLIER -58.79 -156.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 606' ' ' TYR . . . . . 0.543 ' CB ' HD11 ' A' ' 626' ' ' ILE . 28.5 m-85 -129.87 130.48 45.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 607' ' ' LEU . . . . . 0.611 HD11 ' HB3' ' A' ' 586' ' ' GLN . 5.8 tt -114.17 132.98 55.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 608' ' ' PHE . . . . . 0.577 ' CZ ' ' HB ' ' A' ' 626' ' ' ILE . 25.9 m-85 -144.5 159.39 42.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 111.039 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 609' ' ' SER . . . . . 0.423 ' O ' ' O ' ' A' ' 610' ' ' THR . 19.3 t -110.68 174.22 5.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.026 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 610' ' ' THR . . . . . 0.924 HG23 HD11 ' A' ' 581' ' ' ILE . 24.2 p -37.39 156.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.386 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 122.03 -162.92 15.62 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.537 1.148 . . . . 0.0 111.031 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 612' ' ' THR . . . . . . . . . . . . . 2.1 m -111.2 125.93 54.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 0.724 . . . . 0.0 110.379 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.74 156.41 48.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.971 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 614' ' ' THR . . . . . 0.505 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 5.7 m -134.9 118.28 16.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.405 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 615' ' ' TYR . . . . . 0.804 ' CD1' ' CE2' ' A' ' 591' ' ' PHE . 0.0 OUTLIER -96.32 120.01 35.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.972 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 59.6 m -120.89 112.92 33.29 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.398 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 89.01 1.19 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.56 1.821 . . . . 0.0 110.98 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . -87.6 -153.58 25.43 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 619' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 622' ' ' ALA . 2.0 m 174.01 -33.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 109.999 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 620' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -87.85 76.01 8.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . 100.09 -36.89 3.82 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.116 . . . . 0.0 110.939 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 622' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 619' ' ' SER . . . -118.22 104.1 10.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 0.78 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -94.12 102.18 14.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 624' ' ' GLY . . . . . . . . . . . . . . . 47.88 98.34 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.429 1.081 . . . . 0.0 111.035 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 33.5 p -136.62 150.13 48.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 0.743 . . . . 0.0 110.401 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 626' ' ' ILE . . . . . 0.665 HG23 ' CA ' ' A' ' 615' ' ' TYR . 0.8 OUTLIER -120.62 128.51 76.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.49 131.32 55.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.26 147.31 38.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.389 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 112.51 140.61 7.95 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.491 1.119 . . . . 0.0 111.038 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -59.85 123.36 71.45 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.517 0.775 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 163.79 34.68 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.497 1.788 . . . . 0.0 111.025 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 33.3 t -141.91 80.98 1.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.005 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 633' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.465 1.103 . . . . 0.0 111.055 -179.936 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . 170.23 98.09 0.11 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 532' ' ' THR . . . . . 0.494 ' O ' ' CB ' ' A' ' 533' ' ' THR . 25.8 p -38.63 -45.75 1.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 0.776 . . . . 0.0 110.4 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 533' ' ' THR . . . . . 0.516 ' O ' ' CG2' ' A' ' 533' ' ' THR . 0.5 OUTLIER 82.36 109.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.408 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 534' ' ' ASN . . . . . 0.544 ' CB ' HG21 ' A' ' 610' ' ' THR . 0.3 OUTLIER -70.0 174.42 5.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -142.48 141.72 32.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 536' ' ' VAL . . . . . 0.894 HG12 ' HA ' ' A' ' 610' ' ' THR . 25.8 m -114.73 114.8 47.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 537' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 577' ' ' ILE . 24.3 m -100.68 124.23 45.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.379 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 21.6 t -125.54 140.92 46.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 539' ' ' TYR . . . . . 0.448 ' CE2' ' CB ' ' A' ' 569' ' ' ALA . 4.4 m-85 -111.87 134.17 53.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 540' ' ' TYR . . . . . 0.726 ' HB3' ' HB3' ' A' ' 575' ' ' ALA . 29.5 t80 -118.25 138.86 52.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -90.69 127.39 36.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.25 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 542' ' ' LYS . . . . . 0.446 ' HA ' ' HA3' ' A' ' 543' ' ' GLY . 0.2 OUTLIER -80.18 136.51 36.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.355 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 543' ' ' GLY . . . . . 0.446 ' HA3' ' HA ' ' A' ' 542' ' ' LYS . . . 157.42 -154.41 25.51 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 0.046 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -124.23 -76.56 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 0.0 110.984 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -156.66 -48.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 546' ' ' SER . . . . . 0.448 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 34.8 p -174.4 62.58 0.25 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.992 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 547' ' ' PRO . . . . . 0.448 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.2 Cg_endo -75.0 148.37 35.18 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.528 1.804 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 548' ' ' TYR . . . . . 0.404 ' CZ ' ' HB2' ' A' ' 565' ' ' LYS . 6.8 m-85 -105.17 160.79 14.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 549' ' ' ILE . . . . . 0.602 HG21 ' HG2' ' A' ' 566' ' ' MET . 0.2 OUTLIER -130.26 143.5 40.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 550' ' ' HIS . . . . . 0.523 ' CE1' ' HB2' ' A' ' 561' ' ' ALA . 9.3 t-160 -127.43 117.78 22.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.586 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 551' ' ' TYR . . . . . 0.59 ' CE2' HG12 ' A' ' 549' ' ' ILE . 0.2 OUTLIER -127.9 159.93 33.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 111.032 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 552' ' ' ARG . . . . . 0.578 ' HD3' ' CD1' ' A' ' 558' ' ' TRP . 0.3 OUTLIER -143.88 151.54 53.16 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.339 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 553' ' ' PRO . . . . . 0.511 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.2 Cg_endo -75.01 155.97 42.92 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.472 1.775 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 554' ' ' ALA . . . . . 0.475 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -33.65 -73.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -126.12 85.98 0.35 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -146.43 -90.95 0.1 Allowed Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 557' ' ' SER . . . . . 0.511 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 30.2 t -167.19 -179.17 4.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 0.783 . . . . 0.0 109.997 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 558' ' ' TRP . . . . . 0.578 ' CD1' ' HD3' ' A' ' 552' ' ' ARG . 62.9 m95 -108.55 117.37 33.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 108.06 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 559' ' ' THR . . . . . 0.46 HG22 ' H ' ' A' ' 560' ' ' ALA . 6.3 m -47.15 174.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.42 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 560' ' ' ALA . . . . . 0.46 ' H ' HG22 ' A' ' 559' ' ' THR . . . -72.22 107.66 4.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 561' ' ' ALA . . . . . 0.523 ' HB2' ' CE1' ' A' ' 550' ' ' HIS . . . -69.37 134.38 88.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 562' ' ' PRO . . . . . 0.552 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.2 Cg_endo -75.02 147.52 89.46 Favored 'Cis proline' 0 C--N 1.361 1.219 0 C-N-CA 120.978 -2.509 . . . . 0.0 110.96 0.038 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 563' ' ' GLY . . . . . 0.552 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -39.9 -103.25 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 564' ' ' VAL . . . . . 0.511 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.9 t -137.04 158.67 36.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.449 0.735 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 565' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 566' ' ' MET . 0.0 OUTLIER -89.43 109.74 20.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 566' ' ' MET . . . . . 0.602 ' HG2' HG21 ' A' ' 549' ' ' ILE . 0.0 OUTLIER -35.11 131.06 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 567' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -102.59 127.98 49.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.307 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.43 149.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.654 ' HB2' ' HB3' ' A' ' 576' ' ' LYS . . . -88.05 -143.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -124.96 8.72 8.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.344 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 571' ' ' ILE . . . . . 0.419 HG22 ' N ' ' A' ' 572' ' ' SER . 10.7 mm -84.5 -94.18 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 572' ' ' SER . . . . . 0.419 ' N ' HG22 ' A' ' 571' ' ' ILE . 0.1 OUTLIER 175.78 94.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 110.016 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 94.21 6.81 61.28 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -104.41 160.66 14.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 111.017 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 575' ' ' ALA . . . . . 0.726 ' HB3' ' HB3' ' A' ' 540' ' ' TYR . . . -115.79 155.5 27.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 576' ' ' LYS . . . . . 0.654 ' HB3' ' HB2' ' A' ' 569' ' ' ALA . 0.0 OUTLIER -151.94 138.95 19.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 0.0 109.366 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 577' ' ' ILE . . . . . 0.951 HD12 ' N ' ' A' ' 578' ' ' THR . 0.2 OUTLIER -141.89 151.64 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 578' ' ' THR . . . . . 0.951 ' N ' HD12 ' A' ' 577' ' ' ILE . 29.4 m -128.43 135.85 50.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 110.41 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 579' ' ' VAL . . . . . 0.812 ' O ' HG22 ' A' ' 536' ' ' VAL . 54.2 t -132.06 119.67 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 580' ' ' ASP . . . . . 0.442 ' HA ' ' O ' ' A' ' 534' ' ' ASN . 0.0 OUTLIER -82.1 125.48 30.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 581' ' ' ILE . . . . . 0.837 ' HB ' ' HB3' ' A' ' 584' ' ' ALA . 6.8 pt -99.5 -56.47 5.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 582' ' ' GLY . . . . . 0.534 ' O ' ' CB ' ' A' ' 583' ' ' SER . . . 58.1 98.18 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.484 1.115 . . . . 0.0 110.963 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 583' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 582' ' ' GLY . 1.2 t 87.7 23.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 0.73 . . . . 0.0 110.014 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 584' ' ' ALA . . . . . 0.837 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -135.75 143.34 45.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 89.8 p -114.79 1.09 14.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.988 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 586' ' ' GLN . . . . . 0.457 ' O ' ' HB2' ' A' ' 554' ' ' ALA . 28.7 mt-30 -151.27 138.43 19.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 110.271 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.682 HD11 HG11 ' A' ' 579' ' ' VAL . 0.3 OUTLIER -144.0 133.78 23.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 588' ' ' GLU . . . . . 0.43 ' HA ' ' O ' ' A' ' 606' ' ' TYR . 1.9 pm0 -92.65 142.09 27.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 589' ' ' ALA . . . . . 0.486 ' HB1' HD11 ' A' ' 549' ' ' ILE . . . -139.05 135.24 34.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.47 ' HB1' ' OG ' ' A' ' 600' ' ' SER . . . -121.25 158.03 28.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 0.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 591' ' ' PHE . . . . . 0.765 ' CZ ' ' CG ' ' A' ' 615' ' ' TYR . 40.0 m-85 -125.58 127.75 46.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 592' ' ' ASN . . . . . 0.514 ' HB3' ' CD2' ' A' ' 598' ' ' TRP . 9.0 p30 -151.02 143.9 24.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 593' ' ' ASP . . . . . 0.432 ' HA ' ' HA ' ' A' ' 547' ' ' PRO . 1.0 OUTLIER -72.6 -16.35 61.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.358 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 94.25 26.53 13.81 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 595' ' ' ASN . . . . . 0.441 ' C ' ' N ' ' A' ' 597' ' ' ASN . 0.7 OUTLIER -154.4 77.96 1.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 0.777 . . . . 0.0 109.251 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 41.92 28.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 597' ' ' ASN . . . . . 0.441 ' N ' ' C ' ' A' ' 595' ' ' ASN . 7.6 m-20 -122.79 76.25 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 598' ' ' TRP . . . . . 0.514 ' CD2' ' HB3' ' A' ' 592' ' ' ASN . 34.5 m95 -104.05 153.38 20.94 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.59 3.7 12.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 600' ' ' SER . . . . . 0.487 ' O ' ' CB ' ' A' ' 601' ' ' ASN . 48.8 m -49.2 -71.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.992 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 601' ' ' ASN . . . . . 0.487 ' CB ' ' O ' ' A' ' 600' ' ' SER . 4.0 m-20 156.19 -59.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 10.0 t30 176.01 -64.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.254 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 603' ' ' THR . . . . . . . . . . . . . 64.5 m -157.59 54.67 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.412 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 604' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 605' ' ' ASN . 0.4 OUTLIER -175.1 71.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 605' ' ' ASN . . . . . 0.411 ' O ' ' O ' ' A' ' 604' ' ' LYS . 17.3 m-80 -57.53 -159.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 606' ' ' TYR . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 608' ' ' PHE . 85.2 m-85 -112.96 162.5 15.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 607' ' ' LEU . . . . . 0.452 HD23 ' OE1' ' A' ' 586' ' ' GLN . 1.9 mp -114.48 122.64 47.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 608' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 606' ' ' TYR . 14.0 m-85 -127.64 148.8 50.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 2.3 t -111.37 167.61 10.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.961 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 610' ' ' THR . . . . . 0.894 ' HA ' HG12 ' A' ' 536' ' ' VAL . 45.0 p -54.04 173.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 110.425 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 102.28 -142.48 15.61 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 612' ' ' THR . . . . . 0.647 HG21 ' CA ' ' A' ' 630' ' ' ALA . 55.5 m -114.3 131.75 56.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 110.35 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -142.94 157.44 44.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.979 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 614' ' ' THR . . . . . 0.537 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 10.8 m -133.92 131.96 39.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.373 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 615' ' ' TYR . . . . . 0.765 ' CG ' ' CZ ' ' A' ' 591' ' ' PHE . 4.2 t80 -115.83 119.73 36.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 110.953 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 30.3 m -112.61 112.12 51.39 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.429 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 617' ' ' PRO . . . . . 0.569 ' HG3' ' CE2' ' A' ' 540' ' ' TYR . 18.3 Cg_endo -75.0 152.25 40.51 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.509 1.794 . . . . 0.0 110.982 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . -84.73 -158.13 28.34 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 9.3 t -96.52 39.57 1.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 0.785 . . . . 0.0 110.019 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 620' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 65.53 128.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . 87.26 -19.67 30.14 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.461 1.101 . . . . 0.0 111.004 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 622' ' ' ALA . . . . . . . . . . . . . . . -123.23 104.72 9.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -52.24 161.33 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 624' ' ' GLY . . . . . . . . . . . . . . . -112.34 -138.02 7.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.546 1.154 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 10.3 p -151.87 167.29 28.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.764 . . . . 0.0 110.384 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 626' ' ' ILE . . . . . 0.537 ' HA ' ' O ' ' A' ' 614' ' ' THR . 0.2 OUTLIER -120.43 125.1 73.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -107.55 122.4 46.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.23 151.01 36.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 110.387 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 102.85 141.78 11.75 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.573 1.171 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.647 ' CA ' HG21 ' A' ' 612' ' ' THR . . . -59.45 118.56 31.98 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.452 0.736 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 631' ' ' PRO . . . . . 0.43 ' HG3' ' CG2' ' A' ' 614' ' ' THR . 18.2 Cg_endo -75.08 153.53 41.46 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.48 1.779 . . . . 0.0 111.001 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.83 69.78 1.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.045 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 633' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . -47.82 -59.97 5.77 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 8.7 m 55.3 18.05 2.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 0.0 110.422 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 533' ' ' THR . . . . . 0.469 ' HB ' ' CA ' ' A' ' 582' ' ' GLY . 2.6 m -81.7 -83.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.448 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 534' ' ' ASN . . . . . 0.499 ' C ' ' CD ' ' A' ' 535' ' ' LYS . 2.1 m-20 -99.79 162.59 12.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 535' ' ' LYS . . . . . 0.499 ' CD ' ' C ' ' A' ' 534' ' ' ASN . 0.1 OUTLIER -148.73 149.51 31.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 536' ' ' VAL . . . . . 0.745 HG12 ' HA ' ' A' ' 610' ' ' THR . 8.0 m -116.02 112.98 41.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 55.4 m -100.37 124.4 45.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.42 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 538' ' ' VAL . . . . . 0.736 HG13 ' HB3' ' A' ' 613' ' ' SER . 2.8 t -127.35 134.09 66.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 539' ' ' TYR . . . . . 0.41 ' CD2' ' HG2' ' A' ' 631' ' ' PRO . 2.8 m-85 -109.33 117.28 33.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 111.034 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 540' ' ' TYR . . . . . 0.597 ' CD2' ' CE1' ' A' ' 591' ' ' PHE . 22.0 t80 -109.39 138.76 45.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -89.25 123.01 33.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 542' ' ' LYS . . . . . 0.543 ' CG ' ' HA3' ' A' ' 543' ' ' GLY . 6.9 ttmt -87.88 138.55 31.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.333 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 543' ' ' GLY . . . . . 0.543 ' HA3' ' CG ' ' A' ' 542' ' ' LYS . . . 150.19 -122.52 1.42 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 -0.001 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -131.52 -87.31 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 0.719 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 545' ' ' ASN . . . . . 0.485 ' O ' ' CB ' ' A' ' 546' ' ' SER . 0.4 OUTLIER -148.92 27.56 0.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 546' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 545' ' ' ASN . 0.7 OUTLIER 85.5 69.08 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 173.72 14.03 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.482 1.78 . . . . 0.0 111.018 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -108.03 143.24 37.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 549' ' ' ILE . . . . . 0.897 HG23 ' O ' ' A' ' 590' ' ' ALA . 4.1 mt -116.65 144.31 24.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 550' ' ' HIS . . . . . 0.553 ' CE1' ' HB2' ' A' ' 561' ' ' ALA . 14.5 t-160 -130.0 117.09 19.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.626 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 551' ' ' TYR . . . . . 0.644 ' HB2' HD21 ' A' ' 587' ' ' LEU . 0.3 OUTLIER -126.58 160.57 30.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 111.019 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 552' ' ' ARG . . . . . 0.722 ' O ' HD22 ' A' ' 587' ' ' LEU . 0.2 OUTLIER -141.65 152.06 61.97 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 553' ' ' PRO . . . . . 0.515 ' O ' ' C ' ' A' ' 554' ' ' ALA . 18.3 Cg_endo -75.01 152.45 40.7 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.448 1.762 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 554' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -30.31 -72.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -126.19 86.65 0.35 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -147.65 -91.55 0.1 Allowed Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 557' ' ' SER . . . . . 0.514 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 40.0 t -168.63 179.83 4.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 0.792 . . . . 0.0 110.017 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 558' ' ' TRP . . . . . 0.525 ' CD1' ' HD3' ' A' ' 552' ' ' ARG . 53.3 m95 -105.67 112.94 26.22 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 559' ' ' THR . . . . . 0.475 HG22 ' H ' ' A' ' 560' ' ' ALA . 88.9 m -46.34 173.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.393 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 560' ' ' ALA . . . . . 0.475 ' H ' HG22 ' A' ' 559' ' ' THR . . . -65.27 107.8 1.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 561' ' ' ALA . . . . . 0.553 ' HB2' ' CE1' ' A' ' 550' ' ' HIS . . . -71.7 133.9 84.27 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.301 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 562' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 561' ' ' ALA . 18.3 Cg_endo -75.0 147.0 88.2 Favored 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 121.04 -2.483 . . . . 0.0 111.015 0.006 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 563' ' ' GLY . . . . . 0.484 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -40.63 -99.27 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 564' ' ' VAL . . . . . 0.518 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.5 t -136.54 157.83 37.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.531 0.783 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 565' ' ' LYS . . . . . 0.495 ' O ' ' C ' ' A' ' 566' ' ' MET . 0.0 OUTLIER -86.05 119.84 26.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.576 1.172 . . . . 0.0 109.318 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 566' ' ' MET . . . . . 0.714 ' HE2' ' CG2' ' A' ' 577' ' ' ILE . 0.3 OUTLIER -29.02 118.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 111.031 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 567' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 576' ' ' LYS . 0.1 OUTLIER -86.6 106.57 17.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 568' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 567' ' ' GLN . 0.1 OUTLIER -39.76 143.6 0.23 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.651 ' HB2' ' HB3' ' A' ' 576' ' ' LYS . . . -90.4 -151.18 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.78 2.6 11.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 571' ' ' ILE . . . . . 0.546 ' O ' ' CB ' ' A' ' 572' ' ' SER . 9.0 mt -78.75 -23.68 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 572' ' ' SER . . . . . 0.546 ' CB ' ' O ' ' A' ' 571' ' ' ILE . 1.8 t 88.46 108.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.001 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 90.61 -1.37 78.72 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -108.88 161.28 15.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 0.786 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 575' ' ' ALA . . . . . 0.652 ' HB1' ' HB3' ' A' ' 566' ' ' MET . . . -115.02 156.21 25.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 576' ' ' LYS . . . . . 0.651 ' HB3' ' HB2' ' A' ' 569' ' ' ALA . 0.4 OUTLIER -153.91 132.85 12.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 577' ' ' ILE . . . . . 1.041 HD13 ' O ' ' A' ' 577' ' ' ILE . 0.0 OUTLIER -130.42 146.82 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.342 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 578' ' ' THR . . . . . 0.498 HG22 ' HB3' ' A' ' 535' ' ' LYS . 5.3 m -127.12 132.99 50.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 110.431 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 579' ' ' VAL . . . . . 0.693 ' O ' HG22 ' A' ' 536' ' ' VAL . 44.1 t -129.82 130.83 66.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.247 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 580' ' ' ASP . . . . . 0.433 ' C ' HG23 ' A' ' 581' ' ' ILE . 3.2 t70 -79.75 150.23 30.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 581' ' ' ILE . . . . . 0.793 ' HB ' ' HB3' ' A' ' 584' ' ' ALA . 38.9 pt -152.88 48.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 582' ' ' GLY . . . . . 0.469 ' CA ' ' HB ' ' A' ' 533' ' ' THR . . . -53.34 -24.92 24.78 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.134 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -128.12 44.28 2.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.764 . . . . 0.0 110.009 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 584' ' ' ALA . . . . . 0.793 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -159.66 141.8 13.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.85 -5.14 17.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.996 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -143.06 138.54 30.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.309 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.847 HD13 ' C ' ' A' ' 587' ' ' LEU . 0.3 OUTLIER -128.97 143.68 50.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 588' ' ' GLU . . . . . 0.637 ' H ' HD22 ' A' ' 587' ' ' LEU . 1.7 pm0 -116.77 143.45 45.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 589' ' ' ALA . . . . . 0.52 ' HB2' ' HB3' ' A' ' 551' ' ' TYR . . . -139.57 150.38 44.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.138 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.897 ' O ' HG23 ' A' ' 549' ' ' ILE . . . -132.38 161.94 32.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 0.0 109.285 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 591' ' ' PHE . . . . . 0.597 ' CE1' ' CD2' ' A' ' 540' ' ' TYR . 86.5 m-85 -115.44 140.66 48.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 110.963 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 592' ' ' ASN . . . . . 0.419 ' HB3' ' CD2' ' A' ' 598' ' ' TRP . 11.5 p30 -159.14 135.21 8.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -81.94 -13.74 57.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 92.92 16.72 46.88 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -134.56 64.22 1.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 44.24 29.07 0.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -119.76 85.54 2.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 598' ' ' TRP . . . . . 0.419 ' CD2' ' HB3' ' A' ' 592' ' ' ASN . 58.4 m95 -101.31 136.65 40.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 107.989 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -121.28 56.75 1.03 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 600' ' ' SER . . . . . 0.486 ' O ' ' CB ' ' A' ' 601' ' ' ASN . 93.2 p -107.41 20.66 18.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.973 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 601' ' ' ASN . . . . . 0.486 ' CB ' ' O ' ' A' ' 600' ' ' SER . 17.6 t30 81.52 -56.76 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -167.7 -70.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 603' ' ' THR . . . . . . . . . . . . . 2.8 t -172.98 31.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.412 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 604' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 605' ' ' ASN . 0.9 OUTLIER -118.4 -9.83 10.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 605' ' ' ASN . . . . . 0.455 ' OD1' ' N ' ' A' ' 606' ' ' TYR . 11.1 p30 38.38 -155.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 606' ' ' TYR . . . . . 0.655 ' CB ' ' CZ ' ' A' ' 608' ' ' PHE . 96.7 m-85 -129.63 161.76 29.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 111.038 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -114.5 121.06 42.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 608' ' ' PHE . . . . . 0.724 ' HE1' HD13 ' A' ' 626' ' ' ILE . 11.2 m-85 -129.74 150.46 51.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 8.5 t -111.21 166.9 10.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.014 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 610' ' ' THR . . . . . 0.745 ' HA ' HG12 ' A' ' 536' ' ' VAL . 68.5 p -47.57 170.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.374 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 105.65 -157.76 16.08 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 612' ' ' THR . . . . . 0.529 HG21 ' HA ' ' A' ' 630' ' ' ALA . 1.3 m -103.15 132.77 49.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.562 0.801 . . . . 0.0 110.424 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 613' ' ' SER . . . . . 0.736 ' HB3' HG13 ' A' ' 538' ' ' VAL . 0.1 OUTLIER -132.94 158.0 43.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 614' ' ' THR . . . . . 0.51 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 2.6 m -133.22 114.74 14.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 110.41 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 615' ' ' TYR . . . . . 0.639 ' CE1' ' CG1' ' A' ' 626' ' ' ILE . 0.1 OUTLIER -96.01 114.75 26.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 0.0 111.024 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 3.7 m -103.56 114.23 64.97 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.415 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 617' ' ' PRO . . . . . 0.544 ' HG3' ' CZ ' ' A' ' 540' ' ' TYR . 18.3 Cg_endo -74.98 54.41 3.62 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.468 1.772 . . . . 0.0 110.985 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 618' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 617' ' ' PRO . . . 35.63 -152.95 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.51 -55.15 5.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.775 . . . . 0.0 109.975 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 620' ' ' ASN . . . . . 0.404 ' C ' ' N ' ' A' ' 622' ' ' ALA . 7.8 m120 -165.98 127.12 1.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . 41.6 28.01 0.35 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 622' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 623' ' ' ALA . . . -123.75 105.12 9.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 0.741 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 623' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 622' ' ' ALA . . . -38.89 119.82 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 624' ' ' GLY . . . . . . . . . . . . . . . -95.97 -128.79 5.76 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.544 1.152 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 2.8 p -151.08 170.04 20.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 0.0 110.414 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 626' ' ' ILE . . . . . 0.741 HD12 ' H ' ' A' ' 626' ' ' ILE . 0.1 OUTLIER -118.1 125.42 74.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.73 128.57 55.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.265 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.78 146.51 39.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.397 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 118.48 141.99 6.83 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.529 ' HA ' HG21 ' A' ' 612' ' ' THR . . . -59.48 135.11 88.86 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.464 0.744 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 631' ' ' PRO . . . . . 0.425 ' O ' ' N ' ' A' ' 633' ' ' GLY . 18.2 Cg_endo -75.06 179.17 6.36 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.516 1.798 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.86 63.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 110.009 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 633' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 631' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.49 1.119 . . . . 0.0 111.032 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . -150.93 46.69 0.61 Allowed Glycine 0 CA--C 1.531 1.062 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 23.9 m -121.68 -42.35 2.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 0.782 . . . . 0.0 110.407 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 533' ' ' THR . . . . . 0.412 HG23 ' H ' ' A' ' 533' ' ' THR . 81.4 p -41.06 152.83 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.396 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 534' ' ' ASN . . . . . 0.881 ' HB3' HG21 ' A' ' 610' ' ' THR . 2.1 m-20 -108.72 169.85 8.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 535' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 579' ' ' VAL . 8.8 mttp -146.9 150.35 35.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 536' ' ' VAL . . . . . 0.723 HG13 ' HA ' ' A' ' 610' ' ' THR . 0.2 OUTLIER -115.34 121.51 67.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 14.8 m -105.64 122.3 45.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.409 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 538' ' ' VAL . . . . . 0.419 ' HB ' HD12 ' A' ' 577' ' ' ILE . 2.5 t -123.28 130.43 74.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 539' ' ' TYR . . . . . 0.464 ' CB ' ' HG3' ' A' ' 631' ' ' PRO . 2.1 m-85 -106.79 119.78 40.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 540' ' ' TYR . . . . . 0.58 ' CE2' ' HG3' ' A' ' 617' ' ' PRO . 42.4 t80 -109.41 138.91 45.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -92.01 119.08 31.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.17 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 542' ' ' LYS . . . . . 0.579 ' CG ' ' HA3' ' A' ' 543' ' ' GLY . 18.2 ttmt -82.26 137.77 34.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 543' ' ' GLY . . . . . 0.579 ' HA3' ' CG ' ' A' ' 542' ' ' LYS . . . 149.23 -123.93 1.71 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.539 1.149 . . . . 0.0 111.05 0.004 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -138.7 -87.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.743 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 545' ' ' ASN . . . . . 0.505 ' O ' ' CB ' ' A' ' 546' ' ' SER . 64.6 m-80 -144.54 26.31 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 546' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 545' ' ' ASN . 1.4 m 86.3 70.08 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.983 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 142.27 27.6 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.53 1.805 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -77.28 145.73 37.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 549' ' ' ILE . . . . . 0.586 HG12 ' CE2' ' A' ' 551' ' ' TYR . 0.6 OUTLIER -116.79 142.06 32.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 550' ' ' HIS . . . . . 0.583 ' CE1' ' HB2' ' A' ' 561' ' ' ALA . 3.4 t-160 -130.86 118.17 20.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.619 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 551' ' ' TYR . . . . . 0.729 ' HB2' HD21 ' A' ' 587' ' ' LEU . 0.3 OUTLIER -127.41 160.6 30.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.948 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 552' ' ' ARG . . . . . 0.553 ' CZ ' ' NE1' ' A' ' 558' ' ' TRP . 0.5 OUTLIER -138.86 140.89 28.62 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 553' ' ' PRO . . . . . 0.504 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.4 Cg_endo -74.97 143.49 29.21 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.523 1.802 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 554' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 586' ' ' GLN . . . -72.97 59.57 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 149.97 38.46 0.03 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -146.09 -94.24 0.15 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 557' ' ' SER . . . . . 0.504 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 47.3 t 178.62 -171.2 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.77 . . . . 0.0 109.983 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 558' ' ' TRP . . . . . 0.553 ' NE1' ' CZ ' ' A' ' 552' ' ' ARG . 86.7 m95 -93.22 120.57 33.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 107.993 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 559' ' ' THR . . . . . 0.492 ' O ' ' CE1' ' A' ' 550' ' ' HIS . 19.9 m -54.16 168.99 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.348 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 560' ' ' ALA . . . . . 0.474 ' N ' HG22 ' A' ' 559' ' ' THR . . . -64.51 107.61 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 561' ' ' ALA . . . . . 0.583 ' HB2' ' CE1' ' A' ' 550' ' ' HIS . . . -70.21 133.72 87.46 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 562' ' ' PRO . . . . . 0.508 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.2 Cg_endo -74.95 146.84 87.79 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 121.033 -2.486 . . . . 0.0 110.992 -0.074 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 563' ' ' GLY . . . . . 0.508 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -41.99 -101.66 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 564' ' ' VAL . . . . . 0.535 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.8 t -136.86 157.68 36.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.474 0.749 . . . . 0.0 109.292 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 565' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 566' ' ' MET . 0.0 OUTLIER -86.96 120.53 28.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 566' ' ' MET . . . . . 0.624 ' HB3' ' HB1' ' A' ' 575' ' ' ALA . 0.9 OUTLIER -35.53 124.72 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.983 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 567' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 576' ' ' LYS . 1.6 mt-30 -91.33 110.71 22.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -48.32 133.91 15.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.5 ' HB2' ' HB3' ' A' ' 576' ' ' LYS . . . -73.69 -145.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -124.16 11.32 8.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 571' ' ' ILE . . . . . . . . . . . . . 19.0 mt -82.19 -86.8 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 166.96 91.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.038 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 94.9 8.52 59.13 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.443 1.089 . . . . 0.0 110.953 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -103.61 157.88 16.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 110.965 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 575' ' ' ALA . . . . . 0.624 ' HB1' ' HB3' ' A' ' 566' ' ' MET . . . -115.69 154.47 29.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 576' ' ' LYS . . . . . 0.5 ' HB3' ' HB2' ' A' ' 569' ' ' ALA . 1.0 OUTLIER -154.52 129.13 9.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 577' ' ' ILE . . . . . 1.056 HD13 ' O ' ' A' ' 577' ' ' ILE . 0.0 OUTLIER -126.37 145.54 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 578' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 3.7 m -127.11 130.56 50.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.386 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 579' ' ' VAL . . . . . 0.75 ' CG1' HD13 ' A' ' 587' ' ' LEU . 0.7 OUTLIER -130.63 132.05 64.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 580' ' ' ASP . . . . . 0.408 ' HA ' ' O ' ' A' ' 534' ' ' ASN . 5.1 t70 -93.5 148.29 22.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 581' ' ' ILE . . . . . 0.921 HD11 ' CG2' ' A' ' 610' ' ' THR . 2.7 pt -128.41 -36.05 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.373 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 582' ' ' GLY . . . . . 0.529 ' O ' ' CB ' ' A' ' 583' ' ' SER . . . 39.39 48.85 2.94 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 583' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 582' ' ' GLY . 0.4 OUTLIER 156.93 -51.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 0.756 . . . . 0.0 109.992 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 584' ' ' ALA . . . . . 0.858 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -65.19 146.09 55.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 71.3 m -112.72 1.18 15.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 110.023 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 586' ' ' GLN . . . . . 0.482 ' O ' ' CB ' ' A' ' 554' ' ' ALA . 19.6 mt-30 -151.3 137.84 18.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.75 HD13 ' CG1' ' A' ' 579' ' ' VAL . 4.2 tt -137.68 132.99 33.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 588' ' ' GLU . . . . . 0.427 ' O ' ' CA ' ' A' ' 551' ' ' TYR . 1.7 pm0 -97.25 142.53 29.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 589' ' ' ALA . . . . . 0.525 ' CB ' ' HB3' ' A' ' 551' ' ' TYR . . . -139.42 139.74 37.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -123.78 161.41 25.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.276 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 591' ' ' PHE . . . . . 0.58 ' CZ ' ' CD2' ' A' ' 615' ' ' TYR . 7.9 m-85 -118.57 128.83 54.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -146.77 136.09 22.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 593' ' ' ASP . . . . . 0.404 ' OD2' ' C ' ' A' ' 593' ' ' ASP . 0.0 OUTLIER -67.92 -18.67 64.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.308 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 105.48 19.25 10.68 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.503 1.127 . . . . 0.0 110.966 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -126.34 29.32 5.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 0.736 . . . . 0.0 109.349 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 73.11 17.39 4.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -101.4 79.17 1.94 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 598' ' ' TRP . . . . . 0.412 ' CZ3' ' HB3' ' A' ' 550' ' ' HIS . 9.4 m95 -90.13 126.4 35.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 107.977 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -95.06 25.94 3.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 600' ' ' SER . . . . . 0.425 ' OG ' ' N ' ' A' ' 601' ' ' ASN . 95.5 p -58.63 -93.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.981 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 601' ' ' ASN . . . . . 0.439 ' O ' ' CB ' ' A' ' 602' ' ' ASN . 2.2 t-20 175.14 39.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.352 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 602' ' ' ASN . . . . . 0.9 ' O ' HG23 ' A' ' 603' ' ' THR . 31.8 t30 77.8 -54.81 0.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 603' ' ' THR . . . . . 0.9 HG23 ' O ' ' A' ' 602' ' ' ASN . 0.1 OUTLIER -176.31 43.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 110.385 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 604' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' A' ' 605' ' ' ASN . 0.0 OUTLIER -147.54 56.49 1.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 605' ' ' ASN . . . . . 0.418 ' O ' ' O ' ' A' ' 604' ' ' LYS . 5.3 m-80 -57.15 -161.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 606' ' ' TYR . . . . . 0.57 ' HB2' ' CE1' ' A' ' 608' ' ' PHE . 92.1 m-85 -127.84 137.76 52.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 4.3 mp -99.61 126.34 45.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 608' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 606' ' ' TYR . 0.4 OUTLIER -122.11 146.36 47.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 609' ' ' SER . . . . . 0.506 ' O ' HG13 ' A' ' 536' ' ' VAL . 20.9 t -102.51 166.24 10.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 610' ' ' THR . . . . . 0.921 ' CG2' HD11 ' A' ' 581' ' ' ILE . 57.3 p -54.97 162.9 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 110.41 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 120.51 -134.81 10.53 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 612' ' ' THR . . . . . 0.419 ' CG2' ' HA ' ' A' ' 630' ' ' ALA . 2.6 m -124.31 123.91 41.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 0.754 . . . . 0.0 110.403 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 11.5 m -139.03 157.72 45.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 614' ' ' THR . . . . . 0.51 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 30.3 m -133.58 125.26 28.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.365 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 615' ' ' TYR . . . . . 0.58 ' CD2' ' CZ ' ' A' ' 591' ' ' PHE . 0.1 OUTLIER -97.26 121.05 38.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 20.6 m -117.01 117.81 36.72 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.393 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 617' ' ' PRO . . . . . 0.58 ' HG3' ' CE2' ' A' ' 540' ' ' TYR . 18.2 Cg_endo -75.03 -161.82 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.448 1.762 . . . . 0.0 110.993 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . -139.31 -175.11 13.9 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.525 1.141 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.78 104.9 1.78 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 0.754 . . . . 0.0 110.042 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 620' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 621' ' ' GLY . 5.1 m-80 62.82 69.6 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 621' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 620' ' ' ASN . . . 37.46 51.82 1.8 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 622' ' ' ALA . . . . . 0.589 ' O ' ' HB3' ' A' ' 623' ' ' ALA . . . -114.0 103.48 11.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 0.756 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 623' ' ' ALA . . . . . 0.589 ' HB3' ' O ' ' A' ' 622' ' ' ALA . . . 77.1 174.85 0.2 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 624' ' ' GLY . . . . . . . . . . . . . . . -170.93 124.07 1.09 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.498 1.124 . . . . 0.0 110.95 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 67.5 p -126.28 150.59 48.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 0.749 . . . . 0.0 110.424 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 626' ' ' ILE . . . . . 0.51 ' HA ' ' O ' ' A' ' 614' ' ' THR . 0.1 OUTLIER -121.92 130.25 74.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.62 125.8 54.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.18 146.54 41.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.424 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 114.43 143.55 8.31 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.544 1.153 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.419 ' HA ' ' CG2' ' A' ' 612' ' ' THR . . . -59.34 133.4 88.19 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.448 0.734 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 631' ' ' PRO . . . . . 0.464 ' HG3' ' CB ' ' A' ' 539' ' ' TYR . 18.3 Cg_endo -74.98 -179.94 5.48 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.489 1.784 . . . . 0.0 110.949 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.27 62.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.989 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 633' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 631' ' ' PRO . . . . . . . . 0 CA--C 1.531 1.053 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . -42.77 -89.81 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 48.5 p -97.54 135.57 39.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 110.372 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 533' ' ' THR . . . . . 0.748 HG22 ' OD1' ' A' ' 534' ' ' ASN . 47.9 m -154.28 -101.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.428 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 534' ' ' ASN . . . . . 0.748 ' OD1' HG22 ' A' ' 533' ' ' THR . 0.5 OUTLIER -67.04 144.23 56.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.281 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 535' ' ' LYS . . . . . 0.438 ' HA ' ' O ' ' A' ' 579' ' ' VAL . 0.3 OUTLIER -141.78 149.2 40.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 536' ' ' VAL . . . . . 0.658 HG13 ' O ' ' A' ' 609' ' ' SER . 1.6 t -115.56 128.23 72.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 16.0 m -102.13 127.39 49.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 1.8 t -126.79 129.96 71.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 539' ' ' TYR . . . . . 0.644 ' HB3' HG23 ' A' ' 614' ' ' THR . 0.7 OUTLIER -111.17 116.53 31.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 540' ' ' TYR . . . . . 0.585 ' CE2' ' HG3' ' A' ' 617' ' ' PRO . 50.6 t80 -112.0 138.61 48.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.969 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -86.96 117.24 25.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 542' ' ' LYS . . . . . 0.489 ' HA ' ' HA3' ' A' ' 543' ' ' GLY . 1.1 ttpt -86.95 142.62 27.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 543' ' ' GLY . . . . . 0.489 ' HA3' ' HA ' ' A' ' 542' ' ' LYS . . . 145.02 -130.63 3.94 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 0.032 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 544' ' ' PHE . . . . . 0.493 ' CD1' ' N ' ' A' ' 544' ' ' PHE . 4.4 m-85 -121.36 -132.58 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 0.759 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -111.79 -56.27 2.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 546' ' ' SER . . . . . 0.43 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 6.9 p -135.58 63.37 53.57 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 109.998 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 547' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.3 Cg_endo -75.05 141.19 26.19 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.519 1.8 . . . . 0.0 111.005 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 548' ' ' TYR . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 565' ' ' LYS . 7.9 m-85 -120.86 155.73 33.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 549' ' ' ILE . . . . . 0.832 HD13 ' O ' ' A' ' 564' ' ' VAL . 0.2 OUTLIER -129.8 140.9 47.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 550' ' ' HIS . . . . . 0.519 ' CE1' ' HB2' ' A' ' 561' ' ' ALA . 14.9 t-160 -120.8 115.33 23.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.631 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 551' ' ' TYR . . . . . 0.631 ' CE2' ' CG1' ' A' ' 549' ' ' ILE . 0.1 OUTLIER -129.66 160.51 33.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 552' ' ' ARG . . . . . 0.62 ' O ' HD12 ' A' ' 587' ' ' LEU . 0.6 OUTLIER -149.78 170.12 8.16 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.273 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 553' ' ' PRO . . . . . 0.564 ' O ' ' HG3' ' A' ' 552' ' ' ARG . 18.2 Cg_endo -75.08 155.76 42.56 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.543 1.812 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 554' ' ' ALA . . . . . 0.537 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -29.01 -86.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -124.11 94.27 0.48 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.464 1.102 . . . . 0.0 111.005 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -153.88 -86.86 0.06 OUTLIER Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 557' ' ' SER . . . . . 0.574 ' O ' ' HB2' ' A' ' 552' ' ' ARG . 14.4 t -150.34 -175.23 5.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 110.039 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 558' ' ' TRP . . . . . 0.589 ' CG ' ' HD3' ' A' ' 552' ' ' ARG . 66.5 m95 -119.33 140.59 50.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 108.006 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 559' ' ' THR . . . . . 0.434 HG22 ' H ' ' A' ' 560' ' ' ALA . 10.0 m -66.55 172.32 4.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.434 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 560' ' ' ALA . . . . . 0.434 ' H ' HG22 ' A' ' 559' ' ' THR . . . -71.08 107.22 4.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 561' ' ' ALA . . . . . 0.519 ' HB2' ' CE1' ' A' ' 550' ' ' HIS . . . -72.16 134.64 82.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 562' ' ' PRO . . . . . 0.519 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.1 Cg_endo -75.02 148.41 91.64 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 121.024 -2.49 . . . . 0.0 110.972 0.052 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 563' ' ' GLY . . . . . 0.519 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -44.46 -104.06 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 564' ' ' VAL . . . . . 0.832 ' O ' HD13 ' A' ' 549' ' ' ILE . 1.0 OUTLIER -136.23 158.14 38.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 565' ' ' LYS . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 548' ' ' TYR . 0.5 OUTLIER -85.21 117.95 24.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.307 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 566' ' ' MET . . . . . 0.653 ' HB3' ' HB1' ' A' ' 575' ' ' ALA . 3.5 mtp -36.63 136.21 0.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 567' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -100.65 115.79 31.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.293 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 568' ' ' ASP . . . . . 0.422 ' HA ' ' O ' ' A' ' 574' ' ' TYR . 0.0 OUTLIER -46.17 134.91 8.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.407 ' HB2' ' HB3' ' A' ' 576' ' ' LYS . . . -70.45 -143.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -126.02 6.73 7.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 571' ' ' ILE . . . . . 0.494 ' O ' ' CB ' ' A' ' 572' ' ' SER . 77.9 mt -80.97 -78.73 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 572' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 571' ' ' ILE . 0.5 OUTLIER 159.86 93.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.002 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 95.52 8.92 58.17 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.515 1.135 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 574' ' ' TYR . . . . . 0.422 ' O ' ' HA ' ' A' ' 568' ' ' ASP . 11.3 m-85 -103.77 159.85 15.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 0.771 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 575' ' ' ALA . . . . . 0.653 ' HB1' ' HB3' ' A' ' 566' ' ' MET . . . -117.15 150.44 38.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 576' ' ' LYS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 569' ' ' ALA . 0.3 OUTLIER -151.55 128.67 11.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 577' ' ' ILE . . . . . 0.891 HD12 ' N ' ' A' ' 578' ' ' THR . 0.2 OUTLIER -131.33 152.23 36.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 578' ' ' THR . . . . . 0.891 ' N ' HD12 ' A' ' 577' ' ' ILE . 35.8 m -127.44 140.27 52.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.463 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 579' ' ' VAL . . . . . 0.65 HG11 HD11 ' A' ' 587' ' ' LEU . 2.9 t -131.99 125.76 55.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 580' ' ' ASP . . . . . 0.518 ' O ' HG23 ' A' ' 581' ' ' ILE . 10.8 t0 -81.02 148.82 29.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 581' ' ' ILE . . . . . 0.949 ' HB ' ' HB3' ' A' ' 584' ' ' ALA . 45.8 pt -156.79 50.78 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -52.69 -19.14 6.21 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 1.2 m -131.42 45.8 2.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.766 . . . . 0.0 109.969 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 584' ' ' ALA . . . . . 0.949 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -162.09 143.6 10.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.82 -2.12 16.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.963 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 586' ' ' GLN . . . . . 0.411 ' O ' ' HB2' ' A' ' 554' ' ' ALA . 28.7 mt-30 -149.0 138.58 21.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.65 HD11 HG11 ' A' ' 579' ' ' VAL . 0.3 OUTLIER -138.11 137.9 38.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 588' ' ' GLU . . . . . 0.464 ' CG ' ' HG2' ' A' ' 552' ' ' ARG . 1.1 pm0 -100.91 142.48 32.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.261 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 589' ' ' ALA . . . . . 0.516 ' CB ' ' HB3' ' A' ' 551' ' ' TYR . . . -140.62 135.66 31.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.256 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -120.64 157.15 30.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 591' ' ' PHE . . . . . 0.548 ' CZ ' ' CG ' ' A' ' 615' ' ' TYR . 17.9 m-85 -119.16 127.1 53.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.975 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 592' ' ' ASN . . . . . 0.4 ' HA ' ' O ' ' A' ' 597' ' ' ASN . 2.7 p-10 -141.93 161.25 38.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.353 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 21.9 p-10 -84.82 -31.06 24.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . -177.02 -50.13 0.06 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 169.15 72.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 0.741 . . . . 0.0 109.263 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 174.88 -35.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 597' ' ' ASN . . . . . 0.4 ' O ' ' HA ' ' A' ' 592' ' ' ASN . 15.8 m120 -113.37 87.22 2.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 71.2 m95 -100.48 131.77 46.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 107.984 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -116.99 64.74 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 600' ' ' SER . . . . . . . . . . . . . 1.3 m -104.72 -71.99 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.984 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 601' ' ' ASN . . . . . 0.403 ' OD1' ' C ' ' A' ' 601' ' ' ASN . 15.2 t-20 172.21 -49.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 3.2 t30 171.55 -70.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 603' ' ' THR . . . . . . . . . . . . . 3.4 t -157.13 22.05 0.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.339 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 604' ' ' LYS . . . . . 0.454 ' O ' ' C ' ' A' ' 605' ' ' ASN . 0.0 OUTLIER -120.13 -11.58 9.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 605' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 604' ' ' LYS . 0.4 OUTLIER 36.49 -153.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 606' ' ' TYR . . . . . 0.883 ' C ' HD13 ' A' ' 607' ' ' LEU . 80.6 m-85 -124.09 162.24 23.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 110.998 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 607' ' ' LEU . . . . . 0.883 HD13 ' C ' ' A' ' 606' ' ' TYR . 0.0 OUTLIER -124.19 124.11 41.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 608' ' ' PHE . . . . . 0.591 ' CZ ' ' CB ' ' A' ' 606' ' ' TYR . 13.5 m-85 -128.89 145.71 51.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.048 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 609' ' ' SER . . . . . 0.658 ' O ' HG13 ' A' ' 536' ' ' VAL . 38.3 t -111.27 160.06 17.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.002 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 610' ' ' THR . . . . . 0.865 HG23 HD11 ' A' ' 581' ' ' ILE . 63.3 p -46.63 167.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.361 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 114.1 -136.83 13.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.107 . . . . 0.0 110.954 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 612' ' ' THR . . . . . 0.471 HG21 ' HA ' ' A' ' 630' ' ' ALA . 32.0 m -129.92 129.75 44.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 0.743 . . . . 0.0 110.399 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 1.1 t -142.16 156.94 45.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 614' ' ' THR . . . . . 0.644 HG23 ' HB3' ' A' ' 539' ' ' TYR . 18.9 m -133.89 119.78 19.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 110.365 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 615' ' ' TYR . . . . . 0.559 ' HA ' HG23 ' A' ' 626' ' ' ILE . 10.1 t80 -96.73 120.22 36.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 96.0 m -109.69 113.26 57.93 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.396 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 617' ' ' PRO . . . . . 0.585 ' HG3' ' CE2' ' A' ' 540' ' ' TYR . 18.3 Cg_endo -74.98 -178.15 3.96 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.456 1.766 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . -102.35 -154.45 25.33 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.99 -52.05 2.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 110.033 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 620' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -101.63 69.14 1.21 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.251 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . 37.11 52.54 1.61 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 622' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 623' ' ' ALA . . . -122.87 104.86 9.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 623' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 622' ' ' ALA . . . -39.54 144.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 624' ' ' GLY . . . . . . . . . . . . . . . -110.08 -118.65 3.99 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.483 1.114 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 4.6 p -151.08 168.48 24.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 0.764 . . . . 0.0 110.402 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 626' ' ' ILE . . . . . 0.559 HG23 ' HA ' ' A' ' 615' ' ' TYR . 0.1 OUTLIER -120.44 127.95 75.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 1.4 tpt85 -108.87 127.91 54.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.62 147.36 37.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.433 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 113.23 141.94 8.16 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.454 1.096 . . . . 0.0 110.972 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.471 ' HA ' HG21 ' A' ' 612' ' ' THR . . . -59.9 126.04 82.26 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.462 0.743 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 631' ' ' PRO . . . . . 0.482 ' HG2' ' CD2' ' A' ' 539' ' ' TYR . 18.4 Cg_endo -74.94 155.11 43.19 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.493 1.786 . . . . 0.0 111.006 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 1.6 m -141.23 76.14 1.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.007 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 633' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 179.993 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 531' ' ' GLY . . . . . 0.692 ' O ' HG23 ' A' ' 533' ' ' THR . . . 93.46 82.71 1.54 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 532' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 531' ' ' GLY . 2.4 m -36.89 134.5 0.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 0.743 . . . . 0.0 110.436 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 533' ' ' THR . . . . . 0.692 HG23 ' O ' ' A' ' 531' ' ' GLY . 2.7 p -134.17 161.58 34.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.393 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 534' ' ' ASN . . . . . 0.565 ' HB3' HG21 ' A' ' 610' ' ' THR . 0.9 OUTLIER -105.84 172.59 6.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.268 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 535' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 579' ' ' VAL . 11.0 mtmm -146.83 151.45 37.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 536' ' ' VAL . . . . . 0.554 HG13 ' HA ' ' A' ' 610' ' ' THR . 0.2 OUTLIER -120.7 113.59 40.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 29.3 m -105.31 121.46 43.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.406 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 538' ' ' VAL . . . . . 0.62 HG12 ' CD1' ' A' ' 577' ' ' ILE . 7.3 p -127.15 141.26 46.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 539' ' ' TYR . . . . . 0.793 ' CE2' HD11 ' A' ' 571' ' ' ILE . 2.8 m-85 -107.98 129.94 55.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 540' ' ' TYR . . . . . 0.527 ' CD2' ' SD ' ' A' ' 566' ' ' MET . 4.7 t80 -113.2 140.06 48.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -90.8 113.31 25.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.361 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 542' ' ' LYS . . . . . 0.484 ' HG3' ' CA ' ' A' ' 543' ' ' GLY . 0.4 OUTLIER -81.24 140.53 34.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 543' ' ' GLY . . . . . 0.484 ' CA ' ' HG3' ' A' ' 542' ' ' LYS . . . 147.54 -136.5 6.09 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 111.043 -0.04 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -120.52 -119.82 0.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 0.0 111.0 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -124.47 -59.33 1.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 546' ' ' SER . . . . . 0.478 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 58.3 m -137.17 61.01 31.21 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.014 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 547' ' ' PRO . . . . . 0.478 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.1 Cg_endo -75.03 147.69 34.16 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 110.973 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -122.77 154.02 38.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 549' ' ' ILE . . . . . 0.596 HG21 ' HG2' ' A' ' 566' ' ' MET . 0.7 OUTLIER -125.28 143.78 37.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 550' ' ' HIS . . . . . 0.601 ' CE1' ' HB2' ' A' ' 561' ' ' ALA . 10.7 t-160 -128.98 117.23 20.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.622 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 551' ' ' TYR . . . . . 0.583 ' CD2' HG12 ' A' ' 549' ' ' ILE . 0.2 OUTLIER -128.18 160.93 30.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 552' ' ' ARG . . . . . 0.478 ' HG3' ' N ' ' A' ' 553' ' ' PRO . 0.0 OUTLIER -144.23 152.17 53.51 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 553' ' ' PRO . . . . . 0.498 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.4 Cg_endo -74.98 153.63 42.01 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.474 1.776 . . . . 0.0 111.031 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 554' ' ' ALA . . . . . 0.468 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -34.26 -70.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -126.06 87.36 0.35 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.467 1.105 . . . . 0.0 110.97 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -149.88 -92.5 0.1 OUTLIER Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 557' ' ' SER . . . . . 0.498 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 39.3 t -170.09 179.68 3.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 0.798 . . . . 0.0 109.974 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 558' ' ' TRP . . . . . 0.448 ' CD1' ' HD3' ' A' ' 552' ' ' ARG . 55.0 m95 -103.31 126.17 50.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 107.965 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 559' ' ' THR . . . . . 0.54 HG22 ' H ' ' A' ' 560' ' ' ALA . 51.4 m -60.47 175.12 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.41 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 560' ' ' ALA . . . . . 0.54 ' H ' HG22 ' A' ' 559' ' ' THR . . . -66.82 107.93 2.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 561' ' ' ALA . . . . . 0.601 ' HB2' ' CE1' ' A' ' 550' ' ' HIS . . . -72.42 133.7 82.85 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 562' ' ' PRO . . . . . 0.514 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.4 Cg_endo -74.98 146.06 85.62 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.984 -2.507 . . . . 0.0 111.025 -0.065 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 563' ' ' GLY . . . . . 0.514 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -37.53 -99.84 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 564' ' ' VAL . . . . . 0.534 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.6 t -137.7 157.54 33.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.547 0.792 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 565' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 566' ' ' MET . 12.1 tptm -87.22 108.01 18.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 566' ' ' MET . . . . . 0.612 ' HB3' ' HB1' ' A' ' 575' ' ' ALA . 0.2 OUTLIER -32.09 130.0 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 111.04 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 567' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -98.24 129.06 44.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.287 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.0 146.21 1.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.345 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.803 ' HB2' ' HB3' ' A' ' 576' ' ' LYS . . . -87.52 -147.83 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 570' ' ' GLU . . . . . 0.459 ' CG ' ' O ' ' A' ' 570' ' ' GLU . 1.4 tt0 -122.68 32.93 5.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 571' ' ' ILE . . . . . 0.793 HD11 ' CE2' ' A' ' 539' ' ' TYR . 4.2 mt -109.24 -78.17 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 572' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 571' ' ' ILE . 0.5 OUTLIER 160.15 98.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.014 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 86.73 7.6 78.15 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -103.79 160.17 15.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 0.775 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 575' ' ' ALA . . . . . 0.612 ' HB1' ' HB3' ' A' ' 566' ' ' MET . . . -116.24 153.94 30.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 576' ' ' LYS . . . . . 0.803 ' HB3' ' HB2' ' A' ' 569' ' ' ALA . 0.0 OUTLIER -156.0 132.85 10.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 577' ' ' ILE . . . . . 1.065 HD13 ' O ' ' A' ' 577' ' ' ILE . 0.0 OUTLIER -134.57 147.72 29.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 578' ' ' THR . . . . . 0.47 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 84.8 m -122.62 137.51 54.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.402 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 579' ' ' VAL . . . . . 0.918 ' CG1' HD13 ' A' ' 587' ' ' LEU . 0.8 OUTLIER -130.6 131.84 64.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 580' ' ' ASP . . . . . 0.454 ' C ' HG23 ' A' ' 581' ' ' ILE . 3.2 t0 -82.39 150.79 26.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 581' ' ' ILE . . . . . 0.873 HD11 HG23 ' A' ' 610' ' ' THR . 36.9 pt -154.76 58.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.232 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 582' ' ' GLY . . . . . 0.484 ' C ' ' O ' ' A' ' 581' ' ' ILE . . . -30.82 -79.21 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.47 1.107 . . . . 0.0 111.022 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.57 -32.44 28.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 0.781 . . . . 0.0 109.984 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 584' ' ' ALA . . . . . 0.771 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -60.13 133.16 55.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.01 -8.38 14.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 110.012 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.08 137.73 31.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.918 HD13 ' CG1' ' A' ' 579' ' ' VAL . 3.8 tt -137.66 131.92 32.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 588' ' ' GLU . . . . . 0.513 ' HA ' ' O ' ' A' ' 606' ' ' TYR . 2.0 pt-20 -97.39 142.81 28.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 589' ' ' ALA . . . . . 0.606 ' HB3' ' HE2' ' A' ' 608' ' ' PHE . . . -135.09 145.44 47.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.648 ' HB2' ' OG ' ' A' ' 600' ' ' SER . . . -126.07 161.66 27.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 591' ' ' PHE . . . . . 0.563 ' CE2' ' HG3' ' A' ' 617' ' ' PRO . 0.8 OUTLIER -119.66 128.61 53.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 111.051 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 592' ' ' ASN . . . . . 0.418 ' CB ' ' CD2' ' A' ' 598' ' ' TRP . 6.8 p-10 -144.7 135.96 25.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 593' ' ' ASP . . . . . 0.413 ' OD1' ' ND2' ' A' ' 620' ' ' ASN . 4.2 m-20 -75.01 -12.39 60.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 78.39 10.86 85.87 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -121.47 56.76 1.04 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 0.778 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 59.82 28.86 18.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -131.05 95.26 3.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.254 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 598' ' ' TRP . . . . . 0.418 ' CD2' ' CB ' ' A' ' 592' ' ' ASN . 27.9 m95 -120.97 137.74 54.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 107.97 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -127.97 66.19 1.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 600' ' ' SER . . . . . 0.648 ' OG ' ' HB2' ' A' ' 590' ' ' ALA . 2.2 t -112.04 -29.72 7.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.973 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 601' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -94.76 59.37 2.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 602' ' ' ASN . . . . . 0.434 ' O ' ' HB ' ' A' ' 603' ' ' THR . 0.6 OUTLIER -106.64 -22.88 12.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 603' ' ' THR . . . . . 0.434 ' HB ' ' O ' ' A' ' 602' ' ' ASN . 1.6 t 179.81 41.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.382 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 604' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' A' ' 605' ' ' ASN . 0.3 OUTLIER 72.72 45.57 0.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 605' ' ' ASN . . . . . 0.46 ' O ' ' O ' ' A' ' 604' ' ' LYS . 0.2 OUTLIER 43.61 -169.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.294 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 606' ' ' TYR . . . . . 0.607 ' HB2' ' CZ ' ' A' ' 608' ' ' PHE . 5.1 m-85 -130.69 136.02 48.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 11.4 mt -99.31 140.74 33.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 608' ' ' PHE . . . . . 0.607 ' CZ ' ' HB2' ' A' ' 606' ' ' TYR . 25.4 m-85 -131.28 146.59 52.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 4.1 t -111.96 155.35 23.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.96 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 610' ' ' THR . . . . . 0.873 HG23 HD11 ' A' ' 581' ' ' ILE . 22.9 p -38.34 154.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.366 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 122.54 -148.33 16.94 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 612' ' ' THR . . . . . 0.615 HG21 ' HB2' ' A' ' 630' ' ' ALA . 1.8 m -111.63 124.91 53.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 0.796 . . . . 0.0 110.408 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 613' ' ' SER . . . . . 0.468 ' C ' HG23 ' A' ' 538' ' ' VAL . 0.5 OUTLIER -128.75 158.85 37.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.99 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 614' ' ' THR . . . . . 0.503 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 25.1 m -132.91 122.5 24.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.404 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 615' ' ' TYR . . . . . 0.464 ' CD1' ' CE1' ' A' ' 591' ' ' PHE . 0.2 OUTLIER -102.05 121.14 41.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 111.013 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 55.6 m -131.56 89.83 38.99 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.417 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 617' ' ' PRO . . . . . 0.563 ' HG3' ' CE2' ' A' ' 591' ' ' PHE . 18.3 Cg_endo -75.01 173.4 14.57 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.439 1.757 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . -88.57 -155.11 29.3 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.468 1.105 . . . . 0.0 111.032 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.2 48.07 1.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.757 . . . . 0.0 109.998 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 620' ' ' ASN . . . . . 0.413 ' ND2' ' OD1' ' A' ' 593' ' ' ASP . 3.8 m-20 62.76 134.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . 88.96 -25.1 10.4 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.499 1.124 . . . . 0.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 622' ' ' ALA . . . . . . . . . . . . . . . -123.01 104.68 9.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 623' ' ' ALA . . . . . 0.421 ' HB2' ' CG ' ' A' ' 602' ' ' ASN . . . -46.87 167.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 624' ' ' GLY . . . . . 0.42 ' HA3' ' HA ' ' A' ' 617' ' ' PRO . . . -120.52 -137.35 5.35 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 7.0 p -151.83 162.85 40.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 0.787 . . . . 0.0 110.377 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 626' ' ' ILE . . . . . 0.503 ' HA ' ' O ' ' A' ' 614' ' ' THR . 0.1 OUTLIER -120.08 125.97 74.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.65 122.81 48.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.419 1.075 . . . . 0.0 110.286 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.24 150.31 37.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.376 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 108.53 141.26 9.49 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.615 ' HB2' HG21 ' A' ' 612' ' ' THR . . . -59.6 115.92 14.52 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.465 0.744 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 163.94 34.31 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.519 1.799 . . . . 0.0 111.019 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.12 72.44 1.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.999 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 633' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.466 1.104 . . . . 0.0 111.046 -179.976 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 531' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 533' ' ' THR . . . 62.36 118.43 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 532' ' ' THR . . . . . 0.439 ' C ' ' OG1' ' A' ' 533' ' ' THR . 20.2 m 68.81 -62.7 0.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 110.37 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 533' ' ' THR . . . . . 0.481 ' HB ' ' CA ' ' A' ' 582' ' ' GLY . 1.0 OUTLIER 45.05 -172.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 110.412 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 534' ' ' ASN . . . . . 0.594 ' HB3' HG21 ' A' ' 610' ' ' THR . 0.4 OUTLIER -71.09 148.96 46.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 535' ' ' LYS . . . . . 0.47 ' HB3' ' CG2' ' A' ' 578' ' ' THR . 4.3 mtpt -142.32 147.46 36.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 536' ' ' VAL . . . . . 0.697 HG22 ' HA ' ' A' ' 610' ' ' THR . 1.9 t -115.09 134.62 57.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 37.7 m -100.57 128.75 46.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.4 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 1.8 t -126.47 129.43 71.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 539' ' ' TYR . . . . . 0.497 ' HB3' HG23 ' A' ' 614' ' ' THR . 0.3 OUTLIER -117.48 118.9 33.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.993 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 540' ' ' TYR . . . . . 0.45 ' CD1' ' N ' ' A' ' 541' ' ' LYS . 2.1 t80 -117.74 138.42 52.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 541' ' ' LYS . . . . . 0.45 ' N ' ' CD1' ' A' ' 540' ' ' TYR . 9.6 ttpt -93.55 114.62 27.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 542' ' ' LYS . . . . . 0.459 ' HA ' ' HA3' ' A' ' 543' ' ' GLY . 2.6 ttpt -84.19 142.6 30.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 543' ' ' GLY . . . . . 0.459 ' HA3' ' HA ' ' A' ' 542' ' ' LYS . . . 144.2 -130.13 3.87 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -0.028 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 544' ' ' PHE . . . . . 0.446 ' CD1' ' N ' ' A' ' 544' ' ' PHE . 7.5 m-85 -112.95 -119.13 0.3 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 0.755 . . . . 0.0 110.95 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -117.54 -52.45 2.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 546' ' ' SER . . . . . 0.446 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 65.3 p -162.31 62.72 1.37 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.986 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 547' ' ' PRO . . . . . 0.446 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.4 Cg_endo -75.05 158.72 41.86 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.485 1.782 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 548' ' ' TYR . . . . . 0.513 ' CD1' ' HB2' ' A' ' 562' ' ' PRO . 2.6 m-85 -111.22 162.36 15.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 549' ' ' ILE . . . . . 0.638 HG21 ' HG2' ' A' ' 566' ' ' MET . 0.2 OUTLIER -123.19 139.06 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 550' ' ' HIS . . . . . 0.605 ' CE1' ' O ' ' A' ' 559' ' ' THR . 3.4 t-160 -127.01 113.98 17.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.559 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 551' ' ' TYR . . . . . 0.822 ' CE1' ' HB1' ' A' ' 589' ' ' ALA . 10.1 m-30 -113.76 164.71 13.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 552' ' ' ARG . . . . . 0.609 ' HB3' ' CZ3' ' A' ' 558' ' ' TRP . 0.0 OUTLIER -149.3 137.64 11.9 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 553' ' ' PRO . . . . . 0.554 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.2 Cg_endo -75.01 159.49 41.27 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.527 1.804 . . . . 0.0 110.982 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 554' ' ' ALA . . . . . 0.502 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -32.76 -70.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -134.79 83.85 0.28 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.544 1.153 . . . . 0.0 111.022 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -142.43 -90.23 0.14 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 557' ' ' SER . . . . . 0.554 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 18.1 t -161.69 -177.34 5.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.997 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 558' ' ' TRP . . . . . 0.609 ' CZ3' ' HB3' ' A' ' 552' ' ' ARG . 78.1 m95 -107.97 111.48 23.59 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 559' ' ' THR . . . . . 0.605 ' O ' ' CE1' ' A' ' 550' ' ' HIS . 32.5 p -32.74 143.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.426 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 560' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -55.41 106.93 0.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 561' ' ' ALA . . . . . 0.486 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -64.81 131.74 95.25 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 562' ' ' PRO . . . . . 0.513 ' HB2' ' CD1' ' A' ' 548' ' ' TYR . 18.5 Cg_endo -74.96 141.67 72.47 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.976 -2.51 . . . . 0.0 111.037 -0.076 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 563' ' ' GLY . . . . . 0.473 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -41.37 -98.49 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 1.5 t -135.15 156.49 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 109.309 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 565' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 566' ' ' MET . 0.0 OUTLIER -92.36 109.22 20.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.167 . . . . 0.0 109.329 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 566' ' ' MET . . . . . 0.638 ' HG2' HG21 ' A' ' 549' ' ' ILE . 0.0 OUTLIER -37.31 156.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 567' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 576' ' ' LYS . 0.3 OUTLIER -124.48 123.52 40.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.327 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 568' ' ' ASP . . . . . 0.417 ' HA ' ' O ' ' A' ' 574' ' ' TYR . 0.0 OUTLIER -51.18 131.98 28.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -67.13 -145.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -119.81 8.15 11.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 571' ' ' ILE . . . . . 0.515 HG22 ' N ' ' A' ' 572' ' ' SER . 35.1 mt -85.64 -97.07 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 572' ' ' SER . . . . . 0.515 ' N ' HG22 ' A' ' 571' ' ' ILE . 1.0 OUTLIER 178.85 93.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.044 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 96.43 9.57 56.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 574' ' ' TYR . . . . . 0.417 ' O ' ' HA ' ' A' ' 568' ' ' ASP . 14.4 m-85 -103.23 159.27 15.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 0.806 . . . . 0.0 110.995 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 575' ' ' ALA . . . . . 0.57 ' HB1' ' SD ' ' A' ' 566' ' ' MET . . . -118.83 151.62 37.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 576' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 567' ' ' GLN . 0.0 OUTLIER -154.57 137.33 15.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 577' ' ' ILE . . . . . 0.98 HD12 ' N ' ' A' ' 578' ' ' THR . 0.2 OUTLIER -146.4 152.51 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 578' ' ' THR . . . . . 0.98 ' N ' HD12 ' A' ' 577' ' ' ILE . 41.9 m -121.45 143.07 49.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.38 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 579' ' ' VAL . . . . . 0.904 HG23 HD11 ' A' ' 577' ' ' ILE . 41.3 t -130.91 123.47 54.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 580' ' ' ASP . . . . . 0.468 ' O ' HG23 ' A' ' 581' ' ' ILE . 9.1 t0 -82.81 149.62 27.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 581' ' ' ILE . . . . . 0.993 ' HB ' ' HB3' ' A' ' 584' ' ' ALA . 30.0 pt -154.98 56.83 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 582' ' ' GLY . . . . . 0.481 ' CA ' ' HB ' ' A' ' 533' ' ' THR . . . -55.24 -16.8 9.85 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.533 1.146 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.11 49.39 2.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 0.743 . . . . 0.0 110.026 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 584' ' ' ALA . . . . . 0.993 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -164.15 141.96 7.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.68 -3.55 13.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.04 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 586' ' ' GLN . . . . . 0.66 ' HB3' HD22 ' A' ' 607' ' ' LEU . 14.3 mt-30 -147.44 138.03 23.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.339 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.5 HD21 ' HB3' ' A' ' 551' ' ' TYR . 2.8 tt -146.75 126.28 13.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 588' ' ' GLU . . . . . 0.518 ' HA ' ' O ' ' A' ' 606' ' ' TYR . 1.3 pm0 -90.68 143.58 26.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 589' ' ' ALA . . . . . 0.822 ' HB1' ' CE1' ' A' ' 551' ' ' TYR . . . -127.29 134.84 49.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.453 ' HB2' HD22 ' A' ' 605' ' ' ASN . . . -121.21 160.88 22.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 591' ' ' PHE . . . . . 0.546 ' CE2' ' HG3' ' A' ' 617' ' ' PRO . 7.6 m-85 -115.99 129.23 56.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.1 . . . . 0.0 110.955 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 592' ' ' ASN . . . . . 0.406 ' O ' ' O ' ' A' ' 548' ' ' TYR . 2.7 p-10 -139.87 136.78 34.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -67.1 -31.59 72.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 594' ' ' GLY . . . . . 0.466 ' O ' ' CB ' ' A' ' 595' ' ' ASN . . . -177.58 -40.76 0.06 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.458 1.099 . . . . 0.0 111.065 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 595' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 594' ' ' GLY . 0.5 OUTLIER 158.46 80.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 0.758 . . . . 0.0 109.313 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 166.93 -39.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -114.13 106.49 14.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 18.2 m95 -111.46 123.94 51.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 108.034 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.97 55.11 0.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 600' ' ' SER . . . . . 0.423 ' OG ' ' HB1' ' A' ' 590' ' ' ALA . 23.4 m -93.66 -75.29 0.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.02 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 601' ' ' ASN . . . . . 0.426 ' O ' ' CB ' ' A' ' 602' ' ' ASN . 2.2 t30 168.5 39.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 602' ' ' ASN . . . . . 0.426 ' CB ' ' O ' ' A' ' 601' ' ' ASN . 0.2 OUTLIER 76.92 -54.1 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 603' ' ' THR . . . . . 0.529 ' O ' ' CB ' ' A' ' 604' ' ' LYS . 0.9 OUTLIER 178.18 100.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.392 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 604' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 603' ' ' THR . 10.0 tptt 161.29 -26.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 605' ' ' ASN . . . . . 0.453 HD22 ' HB2' ' A' ' 590' ' ' ALA . 0.3 OUTLIER 38.84 -156.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 606' ' ' TYR . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 608' ' ' PHE . 82.3 m-85 -128.31 164.22 23.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 607' ' ' LEU . . . . . 0.66 HD22 ' HB3' ' A' ' 586' ' ' GLN . 13.5 mt -117.84 128.24 54.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 608' ' ' PHE . . . . . 0.691 ' HE1' HD13 ' A' ' 626' ' ' ILE . 23.9 m-85 -133.05 145.71 51.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 609' ' ' SER . . . . . 0.475 ' O ' HG13 ' A' ' 536' ' ' VAL . 19.8 t -111.8 165.26 12.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 610' ' ' THR . . . . . 0.737 HG23 HD11 ' A' ' 581' ' ' ILE . 73.6 p -41.0 163.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.398 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 117.88 -136.64 12.56 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 612' ' ' THR . . . . . . . . . . . . . 2.7 m -129.32 135.8 49.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 110.366 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 94.6 p -142.37 157.87 44.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 110.007 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 614' ' ' THR . . . . . 0.497 HG23 ' HB3' ' A' ' 539' ' ' TYR . 4.1 m -134.18 114.95 13.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.16 . . . . 0.0 110.4 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 615' ' ' TYR . . . . . 0.411 ' HA ' HG23 ' A' ' 626' ' ' ILE . 0.1 OUTLIER -97.32 117.28 31.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 90.2 m -119.05 87.29 33.91 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.393 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 617' ' ' PRO . . . . . 0.546 ' HG3' ' CE2' ' A' ' 591' ' ' PHE . 18.3 Cg_endo -74.98 160.85 39.73 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.514 1.797 . . . . 0.0 111.034 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . -75.61 -155.17 5.14 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 49.2 m -136.7 45.21 2.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 0.777 . . . . 0.0 109.973 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 620' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 176.23 63.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . 37.6 49.14 1.81 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.511 1.132 . . . . 0.0 111.051 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 622' ' ' ALA . . . . . . . . . . . . . . . -122.98 104.53 9.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 0.753 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -45.47 118.33 1.72 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 624' ' ' GLY . . . . . . . . . . . . . . . -84.22 -128.78 1.68 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.128 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 12.8 p -151.57 158.54 43.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 0.757 . . . . 0.0 110.401 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 626' ' ' ILE . . . . . 0.691 HD13 ' HE1' ' A' ' 608' ' ' PHE . 0.2 OUTLIER -118.03 125.53 74.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.73 123.14 48.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.306 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.27 147.85 37.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 110.358 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 110.77 142.02 8.99 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -59.51 121.97 60.95 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.448 0.734 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 631' ' ' PRO . . . . . 0.491 ' HG2' ' CD2' ' A' ' 539' ' ' TYR . 18.3 Cg_endo -75.0 158.43 42.22 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.506 1.793 . . . . 0.0 111.02 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.46 73.75 1.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.045 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 633' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.122 . . . . 0.0 111.023 -179.966 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . -61.04 -66.7 2.51 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 532' ' ' THR . . . . . 0.464 ' OG1' ' N ' ' A' ' 533' ' ' THR . 68.1 p -107.68 -87.1 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 0.741 . . . . 0.0 110.405 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 533' ' ' THR . . . . . 0.618 HG22 ' OD1' ' A' ' 534' ' ' ASN . 1.3 m -167.79 -77.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.364 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 534' ' ' ASN . . . . . 0.618 ' OD1' HG22 ' A' ' 533' ' ' THR . 0.5 OUTLIER -67.16 144.98 55.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 535' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 579' ' ' VAL . 5.9 mtmp? -142.27 146.04 34.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 536' ' ' VAL . . . . . 0.991 HG21 HD13 ' A' ' 587' ' ' LEU . 5.9 m -115.16 121.08 66.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 94.7 m -102.44 124.11 47.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.36 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 538' ' ' VAL . . . . . 0.434 ' O ' ' HA ' ' A' ' 576' ' ' LYS . 14.2 t -125.2 138.09 55.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 539' ' ' TYR . . . . . 0.442 ' CE2' ' CB ' ' A' ' 569' ' ' ALA . 1.8 m-85 -116.93 121.73 42.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 540' ' ' TYR . . . . . 0.455 ' CE1' ' O ' ' A' ' 541' ' ' LYS . 2.6 t80 -118.51 139.76 50.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 111.021 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 541' ' ' LYS . . . . . 0.455 ' O ' ' CE1' ' A' ' 540' ' ' TYR . 0.2 OUTLIER -88.22 114.49 24.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 542' ' ' LYS . . . . . 0.484 ' HG3' ' CA ' ' A' ' 543' ' ' GLY . 2.6 ttpt -85.66 142.27 29.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 543' ' ' GLY . . . . . 0.484 ' CA ' ' HG3' ' A' ' 542' ' ' LYS . . . 146.62 -130.72 3.75 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.504 1.128 . . . . 0.0 111.028 0.022 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 544' ' ' PHE . . . . . 0.486 ' CD1' ' N ' ' A' ' 544' ' ' PHE . 5.5 m-85 -118.84 -128.44 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 0.778 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -114.64 -59.4 2.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 546' ' ' SER . . . . . 0.445 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 2.4 m -137.04 62.04 37.45 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.984 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 547' ' ' PRO . . . . . 0.445 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.3 Cg_endo -75.01 145.07 30.96 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.53 1.805 . . . . 0.0 111.043 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -119.34 146.64 45.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.981 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 549' ' ' ILE . . . . . 0.595 HG12 ' CD2' ' A' ' 551' ' ' TYR . 0.4 OUTLIER -116.85 143.53 26.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 15.2 t-160 -128.62 118.17 22.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.607 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 551' ' ' TYR . . . . . 0.595 ' CD2' HG12 ' A' ' 549' ' ' ILE . 0.4 OUTLIER -130.25 160.66 33.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 111.015 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 552' ' ' ARG . . . . . 0.491 ' HG3' ' N ' ' A' ' 553' ' ' PRO . 0.3 OUTLIER -138.59 153.6 72.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.336 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 553' ' ' PRO . . . . . 0.565 ' O ' ' C ' ' A' ' 554' ' ' ALA . 18.2 Cg_endo -75.04 153.55 41.65 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.52 1.8 . . . . 0.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 554' ' ' ALA . . . . . 0.565 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -27.38 -74.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -129.9 84.41 0.32 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 111.022 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -141.99 -91.58 0.17 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 557' ' ' SER . . . . . 0.481 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 30.4 t -164.62 179.97 6.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 0.778 . . . . 0.0 110.009 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 558' ' ' TRP . . . . . 0.44 ' NE1' ' HD3' ' A' ' 552' ' ' ARG . 62.3 m95 -106.98 114.49 28.6 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 559' ' ' THR . . . . . 0.494 HG22 ' H ' ' A' ' 560' ' ' ALA . 21.5 m -46.66 173.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.375 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 560' ' ' ALA . . . . . 0.494 ' H ' HG22 ' A' ' 559' ' ' THR . . . -72.08 107.86 4.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 561' ' ' ALA . . . . . 0.516 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -67.47 134.55 92.93 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 562' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 561' ' ' ALA . 18.4 Cg_endo -74.99 148.45 91.78 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.985 -2.506 . . . . 0.0 111.01 -0.022 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 563' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -43.23 -100.31 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.46 1.1 . . . . 0.0 111.031 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 564' ' ' VAL . . . . . 0.519 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.8 t -135.93 157.92 38.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.489 0.758 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 565' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 566' ' ' MET . 7.2 tptp -86.19 115.83 24.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 566' ' ' MET . . . . . 0.615 ' SD ' ' HB1' ' A' ' 575' ' ' ALA . 0.1 OUTLIER -33.85 149.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 567' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 568' ' ' ASP . 15.0 mm-40 -118.13 110.22 17.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 568' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 567' ' ' GLN . 0.1 OUTLIER -37.0 144.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.546 ' HB2' ' HB3' ' A' ' 576' ' ' LYS . . . -85.77 -150.19 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -120.26 10.1 11.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.317 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 571' ' ' ILE . . . . . 0.562 HD12 ' HB3' ' A' ' 632' ' ' SER . 36.9 mm -82.56 -88.25 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 170.92 94.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.026 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 89.93 9.79 65.49 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.451 1.094 . . . . 0.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -103.68 158.35 16.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 0.763 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 575' ' ' ALA . . . . . 0.615 ' HB1' ' SD ' ' A' ' 566' ' ' MET . . . -115.94 151.87 34.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 576' ' ' LYS . . . . . 0.546 ' HB3' ' HB2' ' A' ' 569' ' ' ALA . 12.1 ptmt -153.38 131.12 11.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 577' ' ' ILE . . . . . 0.949 HD12 ' N ' ' A' ' 578' ' ' THR . 0.2 OUTLIER -128.63 150.41 34.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.247 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 578' ' ' THR . . . . . 0.949 ' N ' HD12 ' A' ' 577' ' ' ILE . 3.7 m -128.29 136.81 51.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.42 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 579' ' ' VAL . . . . . 0.786 HG23 HD11 ' A' ' 577' ' ' ILE . 97.5 t -130.93 127.84 61.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 580' ' ' ASP . . . . . 0.594 ' O ' HG23 ' A' ' 581' ' ' ILE . 0.2 OUTLIER -79.83 148.92 31.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 581' ' ' ILE . . . . . 0.902 HG21 HD12 ' A' ' 587' ' ' LEU . 16.6 pt -158.33 64.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 582' ' ' GLY . . . . . 0.536 ' O ' ' CB ' ' A' ' 583' ' ' SER . . . -68.08 53.31 0.41 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.552 1.157 . . . . 0.0 111.049 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 583' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 582' ' ' GLY . 0.5 OUTLIER 155.36 43.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 0.729 . . . . 0.0 110.034 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 584' ' ' ALA . . . . . 0.873 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -153.49 143.05 21.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 34.5 p -113.62 2.0 15.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.037 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -153.04 138.46 17.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.271 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.991 HD13 HG21 ' A' ' 536' ' ' VAL . 4.2 tt -135.85 133.83 38.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 588' ' ' GLU . . . . . 0.531 ' N ' HD23 ' A' ' 587' ' ' LEU . 38.3 tt0 -99.5 145.01 27.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.273 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 589' ' ' ALA . . . . . 0.415 ' CB ' ' HB3' ' A' ' 551' ' ' TYR . . . -142.21 144.51 33.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 1.015 ' HB2' ' ND2' ' A' ' 605' ' ' ASN . . . -131.48 163.16 28.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 591' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -116.4 127.51 54.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 592' ' ' ASN . . . . . 0.483 ' HB3' ' CE3' ' A' ' 598' ' ' TRP . 7.3 p30 -144.32 135.76 25.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -60.22 -54.0 50.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 594' ' ' GLY . . . . . 0.483 ' O ' ' CB ' ' A' ' 595' ' ' ASN . . . 178.36 40.06 0.06 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.133 . . . . 0.0 110.973 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 595' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 594' ' ' GLY . 6.9 t-20 80.5 81.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 596' ' ' ASN . . . . . 0.423 ' CB ' ' O ' ' A' ' 595' ' ' ASN . 0.4 OUTLIER 162.13 -28.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.249 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -139.53 109.14 6.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 598' ' ' TRP . . . . . 0.483 ' CE3' ' HB3' ' A' ' 592' ' ' ASN . 19.9 m95 -116.76 134.82 54.33 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.64 20.07 18.52 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 600' ' ' SER . . . . . 0.507 ' HB3' ' HB1' ' A' ' 590' ' ' ALA . 14.3 p -74.57 57.65 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 109.994 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 601' ' ' ASN . . . . . 0.486 ' O ' ' CB ' ' A' ' 602' ' ' ASN . 43.7 t-20 46.28 27.97 0.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 602' ' ' ASN . . . . . 0.486 ' CB ' ' O ' ' A' ' 601' ' ' ASN . 18.9 t30 81.34 -52.26 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 603' ' ' THR . . . . . 0.727 ' O ' HG23 ' A' ' 603' ' ' THR . 6.1 t -174.51 50.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 110.389 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.81 58.43 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 605' ' ' ASN . . . . . 1.015 ' ND2' ' HB2' ' A' ' 590' ' ' ALA . 1.3 m-20 -52.18 -175.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 606' ' ' TYR . . . . . 0.647 ' CG ' HD11 ' A' ' 626' ' ' ILE . 56.6 m-85 -130.31 147.68 52.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.098 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 3.3 mp -103.2 130.19 50.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 608' ' ' PHE . . . . . 0.556 ' CD1' ' O ' ' A' ' 587' ' ' LEU . 0.0 OUTLIER -128.78 135.97 49.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 111.0 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.08 167.16 19.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 0.0 110.007 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 610' ' ' THR . . . . . 0.84 ' HA ' HG12 ' A' ' 536' ' ' VAL . 34.3 p -51.82 165.59 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.413 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 113.21 -142.32 17.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.504 1.127 . . . . 0.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 612' ' ' THR . . . . . 0.596 HG21 ' CA ' ' A' ' 630' ' ' ALA . 19.6 m -113.24 131.95 55.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.75 . . . . 0.0 110.45 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 14.6 m -142.27 157.05 45.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.001 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 614' ' ' THR . . . . . 0.642 ' O ' HG22 ' A' ' 626' ' ' ILE . 23.8 m -133.41 136.03 44.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 110.421 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 615' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -120.98 113.7 20.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 44.4 m -117.53 109.72 41.56 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.34 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.56 26.78 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.781 . . . . 0.0 111.003 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . -83.92 -157.37 25.26 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.131 . . . . 0.0 110.982 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 619' ' ' SER . . . . . 0.414 ' OG ' ' N ' ' A' ' 620' ' ' ASN . 0.9 OUTLIER -73.43 -59.45 2.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 110.003 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 620' ' ' ASN . . . . . 0.414 ' N ' ' OG ' ' A' ' 619' ' ' SER . 71.5 m-20 -165.56 130.62 2.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . 51.52 20.53 5.55 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 622' ' ' ALA . . . . . . . . . . . . . . . -122.97 104.62 9.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 0.738 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -41.4 148.44 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 624' ' ' GLY . . . . . . . . . . . . . . . -106.65 -136.45 8.29 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 10.2 p -151.05 163.84 37.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 0.743 . . . . 0.0 110.418 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 626' ' ' ILE . . . . . 0.647 HD11 ' CG ' ' A' ' 606' ' ' TYR . 0.1 OUTLIER -119.36 136.25 57.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.342 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -123.95 121.79 36.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.92 150.66 35.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.407 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 99.63 143.87 15.3 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.588 1.18 . . . . 0.0 110.966 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.596 ' CA ' HG21 ' A' ' 612' ' ' THR . . . -59.03 117.33 20.53 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.473 0.749 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 631' ' ' PRO . . . . . 0.471 ' HG3' ' CG2' ' A' ' 614' ' ' THR . 18.3 Cg_endo -74.99 171.52 18.16 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.479 1.779 . . . . 0.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 632' ' ' SER . . . . . 0.562 ' HB3' HD12 ' A' ' 571' ' ' ILE . 12.4 m 51.06 20.68 0.87 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 110.006 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 633' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . -130.23 64.31 0.61 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 2.6 m -164.28 157.3 17.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 0.772 . . . . 0.0 110.394 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 533' ' ' THR . . . . . 0.495 ' HA ' ' CA ' ' A' ' 582' ' ' GLY . 8.8 t -128.58 144.75 51.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.397 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 534' ' ' ASN . . . . . 0.513 ' CB ' HG21 ' A' ' 610' ' ' THR . 0.8 OUTLIER -110.5 178.01 4.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.328 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 535' ' ' LYS . . . . . 0.412 ' HB3' HG22 ' A' ' 578' ' ' THR . 8.5 mtmt -145.56 145.65 31.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 536' ' ' VAL . . . . . 0.757 HG22 ' O ' ' A' ' 579' ' ' VAL . 0.3 OUTLIER -115.41 113.3 43.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 16.8 m -101.03 123.41 45.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.431 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 538' ' ' VAL . . . . . 0.458 ' HB ' HD12 ' A' ' 577' ' ' ILE . 2.0 t -126.26 128.53 71.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 539' ' ' TYR . . . . . 0.547 ' CE1' ' HD2' ' A' ' 576' ' ' LYS . 3.5 m-85 -103.09 130.33 50.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 540' ' ' TYR . . . . . 0.612 ' CE1' ' O ' ' A' ' 541' ' ' LYS . 2.2 t80 -118.31 139.69 50.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 111.055 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 541' ' ' LYS . . . . . 0.612 ' O ' ' CE1' ' A' ' 540' ' ' TYR . 4.6 ttpt -91.25 123.75 34.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 542' ' ' LYS . . . . . 0.44 ' HG3' ' CA ' ' A' ' 543' ' ' GLY . 4.0 ttpt -80.41 138.4 36.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 543' ' ' GLY . . . . . 0.44 ' CA ' ' HG3' ' A' ' 542' ' ' LYS . . . 153.77 -128.43 2.4 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.117 . . . . 0.0 110.999 0.016 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -146.48 -88.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.744 . . . . 0.0 111.062 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 545' ' ' ASN . . . . . 0.512 ' O ' ' CB ' ' A' ' 546' ' ' SER . 18.6 m-80 -141.89 23.64 2.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.227 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 546' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 545' ' ' ASN . 1.9 t 87.19 72.87 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 158.21 42.07 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.553 1.817 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -95.41 144.52 25.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 549' ' ' ILE . . . . . 0.597 HG12 ' CD2' ' A' ' 551' ' ' TYR . 0.5 OUTLIER -116.56 142.88 28.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 550' ' ' HIS . . . . . 0.504 ' CE1' ' HB2' ' A' ' 561' ' ' ALA . 16.8 t-160 -129.38 117.05 19.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.597 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 551' ' ' TYR . . . . . 0.597 ' CD2' HG12 ' A' ' 549' ' ' ILE . 0.5 OUTLIER -129.14 161.21 30.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 552' ' ' ARG . . . . . 0.474 ' CZ ' ' HA2' ' A' ' 555' ' ' GLY . 0.2 OUTLIER -142.19 153.0 62.72 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 553' ' ' PRO . . . . . 0.723 ' O ' ' C ' ' A' ' 554' ' ' ALA . 18.4 Cg_endo -74.99 135.47 19.14 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.464 1.771 . . . . 0.0 111.051 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 554' ' ' ALA . . . . . 0.723 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -0.11 81.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 555' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 553' ' ' PRO . . . 33.57 70.94 0.12 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 556' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 553' ' ' PRO . . . -125.62 -94.51 0.97 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 557' ' ' SER . . . . . 0.43 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 0.0 OUTLIER -113.75 139.14 49.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 0.0 110.032 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 558' ' ' TRP . . . . . 0.44 ' NE1' ' HD3' ' A' ' 552' ' ' ARG . 55.3 m95 -97.57 103.32 15.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 108.022 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 559' ' ' THR . . . . . 0.416 ' O ' ' O ' ' A' ' 558' ' ' TRP . 39.0 m -43.09 167.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 110.396 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -61.75 107.75 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 561' ' ' ALA . . . . . 0.504 ' HB2' ' CE1' ' A' ' 550' ' ' HIS . . . -70.05 133.32 87.94 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 562' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 561' ' ' ALA . 18.3 Cg_endo -74.98 144.62 81.54 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.039 -2.484 . . . . 0.0 110.982 -0.025 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 563' ' ' GLY . . . . . 0.487 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -38.2 -98.23 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 564' ' ' VAL . . . . . 0.509 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.6 t -136.88 157.71 36.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 0.751 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 565' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 566' ' ' MET . 0.0 OUTLIER -86.91 120.88 28.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 566' ' ' MET . . . . . 0.674 ' HB3' ' HB1' ' A' ' 575' ' ' ALA . 4.2 mmt -32.16 119.84 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 567' ' ' GLN . . . . . 0.451 ' O ' ' O ' ' A' ' 576' ' ' LYS . 0.2 OUTLIER -87.94 116.86 26.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -42.15 146.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -88.33 -147.45 0.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -125.91 7.79 7.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.306 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 571' ' ' ILE . . . . . . . . . . . . . 6.1 mm -80.09 -85.64 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 169.1 93.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.984 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 90.59 9.15 64.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.444 1.09 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.95 157.22 17.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 0.742 . . . . 0.0 111.001 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 575' ' ' ALA . . . . . 0.674 ' HB1' ' HB3' ' A' ' 566' ' ' MET . . . -118.11 155.24 30.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 576' ' ' LYS . . . . . 0.547 ' HD2' ' CE1' ' A' ' 539' ' ' TYR . 1.8 pttm -154.1 146.96 24.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 577' ' ' ILE . . . . . 1.047 HD13 ' O ' ' A' ' 577' ' ' ILE . 0.0 OUTLIER -134.82 147.73 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 578' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 3.7 m -127.16 130.98 50.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.422 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 579' ' ' VAL . . . . . 0.757 ' O ' HG22 ' A' ' 536' ' ' VAL . 2.7 t -129.88 128.95 65.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 580' ' ' ASP . . . . . 0.439 ' HA ' ' O ' ' A' ' 534' ' ' ASN . 0.1 OUTLIER -79.24 141.29 37.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 581' ' ' ILE . . . . . 0.861 HD11 HG23 ' A' ' 610' ' ' THR . 42.4 pt -143.82 54.09 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 582' ' ' GLY . . . . . 0.495 ' CA ' ' HA ' ' A' ' 533' ' ' THR . . . -68.14 58.87 0.4 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 583' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 582' ' ' GLY . 2.9 p 159.84 -24.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 110.019 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 584' ' ' ALA . . . . . 0.686 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -97.53 140.84 31.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.45 -3.69 25.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.01 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 586' ' ' GLN . . . . . 0.902 ' HB3' HD12 ' A' ' 607' ' ' LEU . 3.8 mt-30 -151.22 138.31 19.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.744 HD11 HG11 ' A' ' 579' ' ' VAL . 1.1 tt -133.29 133.84 43.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 588' ' ' GLU . . . . . 0.454 ' HA ' ' O ' ' A' ' 606' ' ' TYR . 1.7 pm0 -94.57 142.71 27.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 589' ' ' ALA . . . . . 0.504 ' CB ' ' HB3' ' A' ' 551' ' ' TYR . . . -138.48 138.97 38.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 109.255 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.68 ' HB1' ' HB3' ' A' ' 600' ' ' SER . . . -121.25 161.61 21.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.263 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 591' ' ' PHE . . . . . 0.756 ' CD1' ' CZ ' ' A' ' 615' ' ' TYR . 3.5 m-85 -121.97 129.46 52.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 592' ' ' ASN . . . . . 0.493 ' HB3' ' CE3' ' A' ' 598' ' ' TRP . 8.5 p30 -142.29 142.52 32.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -63.04 -30.45 71.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 594' ' ' GLY . . . . . 0.451 ' O ' ' ND2' ' A' ' 595' ' ' ASN . . . 169.08 -37.54 0.2 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 595' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 594' ' ' GLY . 1.1 m-80 159.89 79.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 6.5 t30 173.2 -35.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.346 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -127.08 88.56 2.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 598' ' ' TRP . . . . . 0.493 ' CE3' ' HB3' ' A' ' 592' ' ' ASN . 65.2 m95 -97.01 123.78 40.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 108.015 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -123.7 88.0 2.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 600' ' ' SER . . . . . 0.68 ' HB3' ' HB1' ' A' ' 590' ' ' ALA . 46.0 p -141.32 24.74 2.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.02 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 601' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 602' ' ' ASN . 0.6 OUTLIER 76.97 114.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 602' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 601' ' ' ASN . 43.9 m-80 -38.22 -37.47 0.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 603' ' ' THR . . . . . 0.478 ' O ' ' CB ' ' A' ' 604' ' ' LYS . 7.0 m -163.64 72.02 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.402 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 604' ' ' LYS . . . . . 0.478 ' CB ' ' O ' ' A' ' 603' ' ' THR . 0.0 OUTLIER 165.07 64.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -59.87 -159.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 606' ' ' TYR . . . . . 0.649 ' CD1' HD11 ' A' ' 626' ' ' ILE . 89.7 m-85 -121.62 130.14 53.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 607' ' ' LEU . . . . . 0.902 HD12 ' HB3' ' A' ' 586' ' ' GLN . 4.3 mm? -100.62 124.78 46.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 608' ' ' PHE . . . . . 0.583 ' CE1' ' HB3' ' A' ' 606' ' ' TYR . 13.2 m-85 -122.44 148.67 44.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 33.3 t -111.17 170.69 7.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.0 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 610' ' ' THR . . . . . 0.861 HG23 HD11 ' A' ' 581' ' ' ILE . 40.8 p -55.84 161.58 2.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 110.393 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 116.1 -132.81 10.42 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 612' ' ' THR . . . . . 0.562 HG21 ' CA ' ' A' ' 630' ' ' ALA . 24.4 m -128.34 130.29 47.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 0.784 . . . . 0.0 110.409 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 613' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 538' ' ' VAL . 53.3 m -140.99 157.7 44.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.038 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 614' ' ' THR . . . . . 0.511 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 3.2 m -133.55 113.42 12.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.388 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 615' ' ' TYR . . . . . 0.756 ' CZ ' ' CD1' ' A' ' 591' ' ' PHE . 0.0 OUTLIER -97.34 114.15 25.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 75.7 m -118.5 111.11 38.29 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 0.0 110.418 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 174.05 13.43 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.481 1.779 . . . . 0.0 111.017 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . -107.2 -154.98 19.76 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 3.6 t -127.92 148.75 50.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 0.782 . . . . 0.0 109.974 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 620' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 62.0 64.73 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . 37.72 52.8 1.93 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 622' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 623' ' ' ALA . . . -123.01 104.51 9.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 0.788 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 623' ' ' ALA . . . . . 0.432 ' HB1' ' OH ' ' A' ' 606' ' ' TYR . . . -38.75 156.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 624' ' ' GLY . . . . . . . . . . . . . . . -113.85 -137.49 6.65 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 10.8 p -151.31 162.34 41.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 0.786 . . . . 0.0 110.424 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 626' ' ' ILE . . . . . 0.649 HD11 ' CD1' ' A' ' 606' ' ' TYR . 0.1 OUTLIER -119.97 125.19 74.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.263 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.51 123.56 49.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.93 148.91 37.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.376 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 105.58 142.17 11.0 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.562 ' CA ' HG21 ' A' ' 612' ' ' THR . . . -59.84 121.14 55.89 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 631' ' ' PRO . . . . . 0.457 ' HG3' ' CG2' ' A' ' 614' ' ' THR . 18.5 Cg_endo -74.97 154.51 42.68 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.446 1.761 . . . . 0.0 111.046 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 80.8 p -138.14 76.02 1.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.983 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 633' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . -129.08 63.48 0.62 Allowed Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 532' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 533' ' ' THR . 2.7 p -148.85 -110.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 0.737 . . . . 0.0 110.397 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 533' ' ' THR . . . . . 0.469 ' CB ' ' HA2' ' A' ' 582' ' ' GLY . 71.8 p 34.22 -139.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.424 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 534' ' ' ASN . . . . . 0.734 ' HB3' HG21 ' A' ' 610' ' ' THR . 0.0 OUTLIER -80.45 139.3 36.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 535' ' ' LYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 579' ' ' VAL . 25.6 mtpt -143.24 152.22 41.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 536' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 578' ' ' THR . 1.0 OUTLIER -115.26 126.03 72.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 93.6 m -107.11 125.66 51.36 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.135 . . . . 0.0 110.396 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 538' ' ' VAL . . . . . 0.46 ' HB ' HD12 ' A' ' 577' ' ' ILE . 2.1 t -126.6 132.41 70.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 539' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -101.67 138.42 38.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 540' ' ' TYR . . . . . 0.739 ' CD1' ' CE2' ' A' ' 615' ' ' TYR . 14.6 t80 -127.01 139.36 53.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -89.67 113.46 24.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 542' ' ' LYS . . . . . 0.524 ' CE ' ' N ' ' A' ' 543' ' ' GLY . 0.0 OUTLIER -87.0 126.9 35.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.25 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 543' ' ' GLY . . . . . 0.524 ' N ' ' CE ' ' A' ' 542' ' ' LYS . . . 162.23 -126.51 1.57 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 0.0 111.037 -0.058 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -130.54 -46.7 1.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 0.776 . . . . 0.0 111.01 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 4.6 p30 177.21 -43.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 546' ' ' SER . . . . . 0.45 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 0.7 OUTLIER 179.94 62.19 0.11 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.024 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 547' ' ' PRO . . . . . 0.45 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.1 Cg_endo -75.02 146.9 33.13 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.494 1.786 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 548' ' ' TYR . . . . . 0.433 ' CE2' ' HB3' ' A' ' 565' ' ' LYS . 3.6 m-85 -105.33 162.09 13.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 111.051 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 549' ' ' ILE . . . . . 0.57 HG12 ' CE2' ' A' ' 551' ' ' TYR . 0.5 OUTLIER -126.82 142.27 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.343 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -130.9 116.2 17.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.563 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 551' ' ' TYR . . . . . 0.673 ' HB2' HD21 ' A' ' 587' ' ' LEU . 0.2 OUTLIER -120.03 160.41 22.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 552' ' ' ARG . . . . . 0.578 ' HD3' ' CD1' ' A' ' 558' ' ' TRP . 0.3 OUTLIER -138.71 132.61 16.35 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.284 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 553' ' ' PRO . . . . . 0.527 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.3 Cg_endo -75.02 158.62 42.03 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.524 1.802 . . . . 0.0 110.963 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -50.85 -22.81 2.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.26 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -55.93 -18.0 17.4 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 556' ' ' GLY . . . . . 0.416 ' C ' ' HD2' ' A' ' 552' ' ' ARG . . . 84.71 27.72 34.26 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 557' ' ' SER . . . . . 0.527 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 0.5 OUTLIER -104.13 150.6 24.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 0.779 . . . . 0.0 109.995 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 558' ' ' TRP . . . . . 0.578 ' CD1' ' HD3' ' A' ' 552' ' ' ARG . 86.0 m95 -124.09 99.35 6.2 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 52.8 m -44.75 169.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.422 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 560' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -57.41 108.81 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 561' ' ' ALA . . . . . 0.474 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -77.07 132.62 70.36 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.448 1.093 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 562' ' ' PRO . . . . . 0.522 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.3 Cg_endo -75.01 145.02 82.77 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.942 -2.524 . . . . 0.0 111.015 -0.057 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 563' ' ' GLY . . . . . 0.522 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -36.63 -99.31 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.44 1.088 . . . . 0.0 110.977 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 564' ' ' VAL . . . . . 0.551 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 2.8 t -137.97 159.68 33.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 565' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 566' ' ' MET . 0.0 OUTLIER -86.13 122.85 30.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.338 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 566' ' ' MET . . . . . 0.787 ' HE3' HG21 ' A' ' 577' ' ' ILE . 0.0 OUTLIER -34.21 128.42 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 111.02 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 567' ' ' GLN . . . . . 0.458 ' O ' ' O ' ' A' ' 576' ' ' LYS . 1.3 mm-40 -96.45 112.31 24.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 568' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 567' ' ' GLN . 0.2 OUTLIER -38.17 144.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.416 ' HB2' ' HB3' ' A' ' 576' ' ' LYS . . . -91.29 -143.5 0.18 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -129.43 9.78 5.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 571' ' ' ILE . . . . . 0.401 ' O ' ' CB ' ' A' ' 572' ' ' SER . 46.9 mm -79.31 -84.69 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 572' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 571' ' ' ILE . 0.3 OUTLIER 166.3 91.78 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.142 . . . . 0.0 110.01 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 91.77 6.93 65.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.551 1.157 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 574' ' ' TYR . . . . . 0.404 ' CE2' ' OG ' ' A' ' 632' ' ' SER . 0.2 OUTLIER -103.91 155.7 18.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 0.737 . . . . 0.0 110.995 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 575' ' ' ALA . . . . . . . . . . . . . . . -115.75 157.12 24.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 576' ' ' LYS . . . . . 0.458 ' O ' ' O ' ' A' ' 567' ' ' GLN . 6.3 ptmt -153.94 140.36 18.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 577' ' ' ILE . . . . . 1.062 HD13 ' O ' ' A' ' 577' ' ' ILE . 0.0 OUTLIER -132.25 147.68 32.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 578' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 68.8 m -123.05 135.43 54.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.418 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 579' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 535' ' ' LYS . 3.5 t -130.08 118.88 45.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 580' ' ' ASP . . . . . 0.443 ' OD2' ' N ' ' A' ' 581' ' ' ILE . 3.7 t0 -86.02 148.87 25.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 581' ' ' ILE . . . . . 0.953 ' HB ' ' HB3' ' A' ' 584' ' ' ALA . 1.6 pt -128.07 -34.26 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 582' ' ' GLY . . . . . 0.469 ' HA2' ' CB ' ' A' ' 533' ' ' THR . . . 82.71 -53.49 4.84 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.433 1.083 . . . . 0.0 111.0 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 583' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 584' ' ' ALA . 0.4 OUTLIER -129.39 -46.99 1.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 110.021 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 584' ' ' ALA . . . . . 0.953 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -37.67 140.1 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 89.1 p -113.39 5.81 16.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -146.48 138.62 24.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.261 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.673 HD21 ' HB2' ' A' ' 551' ' ' TYR . 2.4 tt -149.11 134.85 18.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 588' ' ' GLU . . . . . 0.46 ' CB ' ' O ' ' A' ' 606' ' ' TYR . 2.6 pm0 -99.41 143.06 30.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 589' ' ' ALA . . . . . . . . . . . . . . . -131.7 134.07 45.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.408 ' C ' ' CD1' ' A' ' 591' ' ' PHE . . . -118.85 159.47 23.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 591' ' ' PHE . . . . . 0.569 ' CE2' ' CD1' ' A' ' 615' ' ' TYR . 0.3 OUTLIER -119.15 127.64 53.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.972 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 592' ' ' ASN . . . . . 0.428 ' HB2' ' NE1' ' A' ' 598' ' ' TRP . 10.2 p-10 -147.43 137.52 23.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 -75.73 -29.33 58.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 106.15 46.55 1.15 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -162.66 -40.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 171.94 -29.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -59.58 88.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 598' ' ' TRP . . . . . 0.428 ' NE1' ' HB2' ' A' ' 592' ' ' ASN . 11.7 m95 -113.81 146.82 39.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 107.981 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -120.16 14.11 12.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 600' ' ' SER . . . . . . . . . . . . . 83.4 p -67.24 -87.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.979 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 601' ' ' ASN . . . . . . . . . . . . . 1.5 t30 169.98 -60.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 164.11 -38.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 603' ' ' THR . . . . . 0.702 ' O ' HG23 ' A' ' 603' ' ' THR . 1.3 t -176.42 36.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.4 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -155.31 58.97 0.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -58.8 -157.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 606' ' ' TYR . . . . . 0.46 ' O ' ' CB ' ' A' ' 588' ' ' GLU . 20.7 m-85 -105.1 162.02 13.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 3.8 mt -130.5 120.84 24.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 608' ' ' PHE . . . . . 0.727 ' HZ ' HD13 ' A' ' 626' ' ' ILE . 28.3 m-85 -141.44 157.31 45.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 8.6 t -110.78 164.05 13.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.045 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 610' ' ' THR . . . . . 0.789 ' CG2' HD11 ' A' ' 581' ' ' ILE . 57.1 p -39.15 158.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.382 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 129.47 -137.24 9.43 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.463 1.102 . . . . 0.0 111.046 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 612' ' ' THR . . . . . 0.518 HG21 ' CA ' ' A' ' 630' ' ' ALA . 91.8 m -126.04 131.3 52.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.766 . . . . 0.0 110.421 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 613' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 538' ' ' VAL . 3.9 p -142.25 157.8 44.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.04 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 614' ' ' THR . . . . . 0.497 HG23 ' HG3' ' A' ' 631' ' ' PRO . 12.1 m -134.66 114.36 12.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.42 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 615' ' ' TYR . . . . . 0.739 ' CE2' ' CD1' ' A' ' 540' ' ' TYR . 0.0 OUTLIER -99.69 114.63 27.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 111.022 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 85.7 m -117.58 109.73 41.45 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.415 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 617' ' ' PRO . . . . . 0.465 ' HD3' ' CE1' ' A' ' 615' ' ' TYR . 18.3 Cg_endo -75.04 -173.98 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.419 1.747 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . -98.7 -155.59 29.2 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.117 . . . . 0.0 110.98 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 21.3 p -101.38 -25.06 14.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 109.991 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 620' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -132.78 -145.23 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.257 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . -80.85 38.78 2.36 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.465 1.103 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 622' ' ' ALA . . . . . . . . . . . . . . . -112.07 103.43 11.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -40.69 144.02 0.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 624' ' ' GLY . . . . . . . . . . . . . . . -96.04 -138.71 9.95 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 12.6 p -152.01 161.01 43.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.783 . . . . 0.0 110.396 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 626' ' ' ILE . . . . . 0.727 HD13 ' HZ ' ' A' ' 608' ' ' PHE . 0.1 OUTLIER -120.49 126.66 75.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -115.58 128.59 56.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.03 147.38 38.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 110.378 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 112.24 139.91 7.81 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.518 ' CA ' HG21 ' A' ' 612' ' ' THR . . . -61.31 119.82 49.63 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.486 0.757 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 631' ' ' PRO . . . . . 0.497 ' HG3' HG23 ' A' ' 614' ' ' THR . 18.3 Cg_endo -75.03 -177.18 3.3 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.483 1.78 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 632' ' ' SER . . . . . 0.404 ' OG ' ' CE2' ' A' ' 574' ' ' TYR . 12.6 m 40.21 28.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.021 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 633' ' ' GLY . . . . . 0.436 ' N ' ' C ' ' A' ' 631' ' ' PRO . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.449 1.093 . . . . 0.0 111.035 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . -74.12 101.97 1.29 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 11.3 p -148.72 175.15 11.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 0.785 . . . . 0.0 110.424 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 533' ' ' THR . . . . . 0.519 ' HA ' ' CA ' ' A' ' 582' ' ' GLY . 0.4 OUTLIER -131.98 109.78 10.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.391 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 534' ' ' ASN . . . . . 0.599 ' HB3' HG21 ' A' ' 610' ' ' THR . 1.4 m-20 -101.72 175.99 5.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 535' ' ' LYS . . . . . 0.456 ' HB3' HG22 ' A' ' 578' ' ' THR . 0.4 OUTLIER -145.81 150.49 36.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 109.337 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 536' ' ' VAL . . . . . 0.653 HG13 ' HA ' ' A' ' 610' ' ' THR . 0.2 OUTLIER -118.78 120.39 63.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 22.9 m -102.58 121.99 43.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 110.414 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 1.7 t -127.07 131.56 70.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 539' ' ' TYR . . . . . 0.571 ' CD2' ' HG2' ' A' ' 631' ' ' PRO . 3.5 m-85 -106.31 128.44 53.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 540' ' ' TYR . . . . . 0.616 ' HB2' ' CD2' ' A' ' 615' ' ' TYR . 2.3 t80 -119.32 139.64 51.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 541' ' ' LYS . . . . . 0.43 ' N ' ' CD1' ' A' ' 540' ' ' TYR . 1.5 tttt -92.11 112.37 24.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 542' ' ' LYS . . . . . 0.523 ' HA ' ' HA3' ' A' ' 543' ' ' GLY . 0.0 OUTLIER -104.86 143.88 32.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 543' ' ' GLY . . . . . 0.523 ' HA3' ' HA ' ' A' ' 542' ' ' LYS . . . 137.37 -132.6 6.02 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.461 1.101 . . . . 0.0 110.97 0.029 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 544' ' ' PHE . . . . . 0.431 ' CZ ' ' OD2' ' A' ' 593' ' ' ASP . 30.7 m-85 -91.8 -168.25 1.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 110.979 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -95.29 6.03 50.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 12.1 p 171.46 65.24 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.98 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 144.81 30.57 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.526 1.803 . . . . 0.0 111.019 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -124.13 148.66 47.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.019 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 549' ' ' ILE . . . . . 0.642 HG21 ' SD ' ' A' ' 566' ' ' MET . 1.2 tt -126.69 144.09 38.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 550' ' ' HIS . . . . . 0.604 ' CE1' ' HB2' ' A' ' 561' ' ' ALA . 14.0 t-160 -129.74 116.3 18.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.58 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 551' ' ' TYR . . . . . 0.576 ' CD2' HG12 ' A' ' 549' ' ' ILE . 0.3 OUTLIER -127.79 161.86 28.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.961 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 552' ' ' ARG . . . . . 0.978 ' O ' HD12 ' A' ' 587' ' ' LEU . 0.6 OUTLIER -139.61 153.97 70.83 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.274 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 553' ' ' PRO . . . . . 0.707 ' O ' ' C ' ' A' ' 554' ' ' ALA . 18.3 Cg_endo -74.95 133.76 17.06 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.508 1.793 . . . . 0.0 111.007 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 554' ' ' ALA . . . . . 0.707 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . 3.56 76.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 555' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 553' ' ' PRO . . . 34.04 72.94 0.09 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 556' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 553' ' ' PRO . . . -128.06 -91.47 0.71 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 557' ' ' SER . . . . . 0.449 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 0.0 OUTLIER -114.69 138.26 50.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 0.787 . . . . 0.0 110.011 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 558' ' ' TRP . . . . . 0.56 ' CE2' ' HD2' ' A' ' 552' ' ' ARG . 43.6 m95 -91.02 105.88 18.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 107.973 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 559' ' ' THR . . . . . 0.414 ' O ' ' O ' ' A' ' 558' ' ' TRP . 18.1 m -44.04 169.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.37 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 560' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -63.38 109.34 1.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 561' ' ' ALA . . . . . 0.604 ' HB2' ' CE1' ' A' ' 550' ' ' HIS . . . -74.5 133.86 76.82 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 562' ' ' PRO . . . . . 0.504 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.1 Cg_endo -75.0 147.25 88.82 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.995 -0.038 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 563' ' ' GLY . . . . . 0.504 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -41.75 -101.64 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.536 1.147 . . . . 0.0 111.022 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 564' ' ' VAL . . . . . 0.516 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.9 t -136.19 158.79 38.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.511 0.771 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 565' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 566' ' ' MET . 0.7 OUTLIER -88.01 116.31 26.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 566' ' ' MET . . . . . 0.642 ' SD ' HG21 ' A' ' 549' ' ' ILE . 0.0 OUTLIER -32.89 130.46 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 110.966 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 567' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 576' ' ' LYS . 4.0 mt-30 -93.14 117.9 30.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.356 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -46.39 134.07 9.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.478 ' HB2' ' HB3' ' A' ' 576' ' ' LYS . . . -76.31 -151.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -123.98 28.93 6.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 571' ' ' ILE . . . . . . . . . . . . . 4.4 mm -105.28 -84.92 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 168.67 105.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.997 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 79.86 9.7 86.46 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -105.21 157.66 17.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 575' ' ' ALA . . . . . 0.505 ' HB1' ' HG2' ' A' ' 566' ' ' MET . . . -120.59 157.93 28.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 576' ' ' LYS . . . . . 0.478 ' HB3' ' HB2' ' A' ' 569' ' ' ALA . 0.0 OUTLIER -156.03 145.1 20.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 577' ' ' ILE . . . . . 1.059 HD13 ' O ' ' A' ' 577' ' ' ILE . 0.0 OUTLIER -142.26 147.82 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 578' ' ' THR . . . . . 0.456 HG22 ' HB3' ' A' ' 535' ' ' LYS . 3.6 m -123.24 132.55 54.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.117 . . . . 0.0 110.374 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 579' ' ' VAL . . . . . 0.643 ' O ' HG23 ' A' ' 536' ' ' VAL . 58.6 t -129.92 127.54 63.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 580' ' ' ASP . . . . . 0.444 ' C ' HG23 ' A' ' 581' ' ' ILE . 28.7 t70 -80.15 150.0 30.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 581' ' ' ILE . . . . . 0.867 HD11 HG23 ' A' ' 610' ' ' THR . 39.9 pt -153.99 51.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 582' ' ' GLY . . . . . 0.519 ' CA ' ' HA ' ' A' ' 533' ' ' THR . . . -54.4 -18.68 10.52 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.85 45.27 2.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 0.776 . . . . 0.0 109.974 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 584' ' ' ALA . . . . . 0.831 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -163.49 141.2 7.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 32.9 p -110.26 0.45 18.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 110.007 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -149.13 138.43 21.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.978 HD12 ' O ' ' A' ' 552' ' ' ARG . 2.1 tp -137.1 130.95 31.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 588' ' ' GLU . . . . . 0.444 ' HA ' ' O ' ' A' ' 606' ' ' TYR . 1.7 pm0 -97.76 142.3 29.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 589' ' ' ALA . . . . . 0.581 ' HB1' HD11 ' A' ' 549' ' ' ILE . . . -138.79 139.18 38.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.427 ' C ' ' CD1' ' A' ' 591' ' ' PHE . . . -120.59 163.99 17.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 591' ' ' PHE . . . . . 0.809 ' CZ ' ' CD1' ' A' ' 615' ' ' TYR . 0.4 OUTLIER -123.57 127.81 48.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 592' ' ' ASN . . . . . 0.422 ' HB3' ' CD2' ' A' ' 598' ' ' TRP . 5.4 p30 -155.61 135.75 12.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 593' ' ' ASP . . . . . 0.431 ' OD2' ' CZ ' ' A' ' 544' ' ' PHE . 0.5 OUTLIER -71.61 -17.78 62.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 100.61 -9.86 58.95 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.52 1.137 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -94.94 41.28 1.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 0.776 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 29.8 m120 63.28 23.22 13.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 597' ' ' ASN . . . . . 0.412 ' O ' ' HA ' ' A' ' 592' ' ' ASN . 0.7 OUTLIER -112.29 91.06 3.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 109.273 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 598' ' ' TRP . . . . . 0.422 ' CD2' ' HB3' ' A' ' 592' ' ' ASN . 19.6 m95 -104.19 152.52 22.06 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -135.44 38.46 2.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 600' ' ' SER . . . . . . . . . . . . . 46.3 p -81.01 -95.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.014 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 601' ' ' ASN . . . . . 0.475 ' O ' ' CB ' ' A' ' 602' ' ' ASN . 3.6 m-20 -173.15 34.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.418 1.074 . . . . 0.0 109.27 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 602' ' ' ASN . . . . . 0.475 ' CB ' ' O ' ' A' ' 601' ' ' ASN . 2.1 t30 79.85 -54.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 603' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' ' 602' ' ' ASN . 5.0 t -176.26 33.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.441 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 604' ' ' LYS . . . . . 0.453 ' O ' ' O ' ' A' ' 605' ' ' ASN . 0.0 OUTLIER -116.55 -33.09 5.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 605' ' ' ASN . . . . . 0.453 ' O ' ' O ' ' A' ' 604' ' ' LYS . 0.6 OUTLIER 40.15 -162.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 606' ' ' TYR . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 608' ' ' PHE . 34.3 m-85 -130.28 162.29 29.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.992 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 5.1 mp -115.95 124.33 50.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 608' ' ' PHE . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 606' ' ' TYR . 7.8 m-85 -122.53 147.13 46.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 42.5 t -111.4 164.62 12.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.998 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 610' ' ' THR . . . . . 0.867 HG23 HD11 ' A' ' 581' ' ' ILE . 32.4 p -48.38 157.84 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 110.333 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 117.67 -157.35 15.17 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.432 1.082 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 612' ' ' THR . . . . . . . . . . . . . 2.4 m -104.59 128.3 52.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 0.74 . . . . 0.0 110.38 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 67.7 p -142.62 157.94 44.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.979 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 614' ' ' THR . . . . . 0.547 HG23 ' CB ' ' A' ' 539' ' ' TYR . 2.3 m -133.51 113.0 11.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.417 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 615' ' ' TYR . . . . . 0.809 ' CD1' ' CZ ' ' A' ' 591' ' ' PHE . 0.0 OUTLIER -97.16 115.22 27.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 616' ' ' THR . . . . . 0.433 ' O ' ' HA3' ' A' ' 624' ' ' GLY . 89.5 m -116.7 110.72 41.98 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.359 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 617' ' ' PRO . . . . . 0.524 ' HD3' ' CE1' ' A' ' 615' ' ' TYR . 18.3 Cg_endo -75.03 -170.78 0.83 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.473 1.775 . . . . 0.0 110.986 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . -102.94 -152.5 23.85 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.485 1.115 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 61.4 p -123.17 -44.0 2.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 0.725 . . . . 0.0 110.004 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 620' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 621' ' ' GLY . 2.6 m-20 -105.98 68.36 0.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 621' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 620' ' ' ASN . . . 36.26 53.2 1.29 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 622' ' ' ALA . . . . . 0.467 ' O ' ' C ' ' A' ' 623' ' ' ALA . . . -122.9 108.1 12.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 0.767 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 623' ' ' ALA . . . . . 0.467 ' C ' ' O ' ' A' ' 622' ' ' ALA . . . -35.28 133.67 0.32 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 624' ' ' GLY . . . . . 0.433 ' HA3' ' O ' ' A' ' 616' ' ' THR . . . -95.47 -135.14 8.06 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.445 1.09 . . . . 0.0 111.042 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 9.4 p -151.71 164.77 36.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 0.754 . . . . 0.0 110.414 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 626' ' ' ILE . . . . . 0.519 HG23 ' HA ' ' A' ' 615' ' ' TYR . 0.1 OUTLIER -120.94 126.86 75.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -111.27 122.66 48.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.309 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.71 148.07 37.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.437 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 112.46 143.76 9.03 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.467 1.104 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -59.68 128.36 86.3 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 631' ' ' PRO . . . . . 0.571 ' HG2' ' CD2' ' A' ' 539' ' ' TYR . 18.5 Cg_endo -74.96 162.97 36.33 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.532 1.807 . . . . 0.0 111.018 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 80.5 p -153.34 76.28 1.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.997 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 633' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 -179.973 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . 117.94 161.41 11.97 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 16.8 m -116.27 155.95 27.48 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.543 0.79 . . . . 0.0 110.398 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 2.1 p -77.51 127.92 33.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 110.42 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 534' ' ' ASN . . . . . 0.421 ' O ' ' HA ' ' A' ' 580' ' ' ASP . 1.3 m-20 -108.63 173.99 6.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 535' ' ' LYS . . . . . 0.453 ' HB3' ' CG2' ' A' ' 578' ' ' THR . 39.9 mtmt -145.38 160.9 40.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 536' ' ' VAL . . . . . 0.704 HG12 ' O ' ' A' ' 579' ' ' VAL . 6.3 p -128.81 134.88 63.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 21.7 m -101.55 124.14 46.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.381 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 538' ' ' VAL . . . . . 0.469 ' HB ' HD12 ' A' ' 577' ' ' ILE . 1.4 t -126.98 127.12 69.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 539' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -111.83 125.79 54.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 540' ' ' TYR . . . . . 0.926 ' HB3' ' HB3' ' A' ' 575' ' ' ALA . 5.4 t80 -107.68 140.55 40.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 111.009 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 541' ' ' LYS . . . . . 0.525 ' O ' ' CE1' ' A' ' 540' ' ' TYR . 12.3 tttt -96.11 134.03 39.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 542' ' ' LYS . . . . . 0.518 ' CG ' ' O ' ' A' ' 544' ' ' PHE . 21.3 ttmt -97.96 109.8 22.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 543' ' ' GLY . . . . . 0.489 ' HA3' ' O ' ' A' ' 541' ' ' LYS . . . 92.23 176.28 42.05 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 0.085 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 544' ' ' PHE . . . . . 0.518 ' O ' ' CG ' ' A' ' 542' ' ' LYS . 72.0 m-85 -50.24 -174.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 0.753 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 545' ' ' ASN . . . . . 0.484 ' H ' ' ND2' ' A' ' 545' ' ' ASN . 1.5 p30 -72.86 -56.15 5.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 78.5 p -177.76 76.61 0.23 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.043 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 141.74 26.98 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.503 1.791 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 548' ' ' TYR . . . . . 0.501 ' CZ ' ' HB2' ' A' ' 565' ' ' LYS . 7.7 m-85 -79.74 142.75 35.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 549' ' ' ILE . . . . . 0.938 HD11 ' CE2' ' A' ' 551' ' ' TYR . 0.0 OUTLIER -117.48 140.21 41.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.345 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -124.47 120.28 31.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.613 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 551' ' ' TYR . . . . . 0.938 ' CE2' HD11 ' A' ' 549' ' ' ILE . 0.1 OUTLIER -134.3 160.71 37.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 111.0 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 552' ' ' ARG . . . . . 0.76 ' C ' HD12 ' A' ' 587' ' ' LEU . 0.0 OUTLIER -145.8 164.05 27.79 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 553' ' ' PRO . . . . . 0.476 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.5 Cg_endo -74.93 160.39 40.41 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.534 1.808 . . . . 0.0 111.014 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 554' ' ' ALA . . . . . 0.457 ' O ' ' NH2' ' A' ' 552' ' ' ARG . . . -35.56 -67.29 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -137.1 83.45 0.26 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.121 . . . . 0.0 110.947 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -142.61 -92.87 0.18 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 557' ' ' SER . . . . . 0.492 ' O ' ' HB2' ' A' ' 552' ' ' ARG . 37.6 t -162.53 169.25 20.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 0.745 . . . . 0.0 109.993 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 558' ' ' TRP . . . . . 0.523 ' CD2' ' HB3' ' A' ' 552' ' ' ARG . 76.0 m95 -100.05 143.64 30.02 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 559' ' ' THR . . . . . 0.54 HG22 ' H ' ' A' ' 560' ' ' ALA . 93.0 m -71.22 175.45 5.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 560' ' ' ALA . . . . . 0.54 ' H ' HG22 ' A' ' 559' ' ' THR . . . -68.1 108.01 2.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 561' ' ' ALA . . . . . 0.509 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -66.47 133.99 94.42 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 562' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 561' ' ' ALA . 18.4 Cg_endo -74.92 146.85 87.81 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 121.047 -2.48 . . . . 0.0 111.001 -0.11 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 563' ' ' GLY . . . . . 0.482 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -37.37 -97.83 0.01 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.454 1.096 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 564' ' ' VAL . . . . . 0.486 HG23 ' CE1' ' A' ' 551' ' ' TYR . 1.4 t -136.88 158.02 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.455 0.738 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 565' ' ' LYS . . . . . 0.501 ' HB2' ' CZ ' ' A' ' 548' ' ' TYR . 1.0 OUTLIER -94.89 111.65 23.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 566' ' ' MET . . . . . 0.543 ' CE ' HG23 ' A' ' 577' ' ' ILE . 0.1 OUTLIER -35.87 129.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 567' ' ' GLN . . . . . 0.444 ' O ' ' O ' ' A' ' 576' ' ' LYS . 0.0 OUTLIER -102.52 124.8 48.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.276 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.94 150.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.518 ' HB2' ' HB3' ' A' ' 576' ' ' LYS . . . -88.27 -139.63 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -131.73 5.81 4.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 571' ' ' ILE . . . . . 0.41 HG22 ' N ' ' A' ' 572' ' ' SER . 23.4 mt -81.27 -87.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 572' ' ' SER . . . . . 0.41 ' N ' HG22 ' A' ' 571' ' ' ILE . 0.3 OUTLIER 171.63 94.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.977 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 91.27 8.26 64.64 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -103.44 159.37 15.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.476 0.751 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 575' ' ' ALA . . . . . 0.926 ' HB3' ' HB3' ' A' ' 540' ' ' TYR . . . -116.3 154.89 29.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 576' ' ' LYS . . . . . 0.518 ' HB3' ' HB2' ' A' ' 569' ' ' ALA . 8.0 ptmt -153.67 134.39 13.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.243 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 577' ' ' ILE . . . . . 1.039 HD13 ' O ' ' A' ' 577' ' ' ILE . 0.0 OUTLIER -144.07 147.33 19.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 578' ' ' THR . . . . . 0.534 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 99.5 m -118.72 139.24 51.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.349 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 579' ' ' VAL . . . . . 0.704 ' O ' HG12 ' A' ' 536' ' ' VAL . 85.2 t -131.93 135.17 59.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 580' ' ' ASP . . . . . 0.421 ' HA ' ' O ' ' A' ' 534' ' ' ASN . 6.1 t70 -92.31 148.34 22.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 581' ' ' ILE . . . . . 1.029 HD11 ' CG2' ' A' ' 610' ' ' THR . 1.1 pt -112.44 -21.41 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . 38.6 88.66 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 70.12 59.98 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 0.747 . . . . 0.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 584' ' ' ALA . . . . . 0.985 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -164.24 145.83 8.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.18 6.35 16.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.959 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -151.36 138.98 19.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.317 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.76 HD12 ' C ' ' A' ' 552' ' ' ARG . 0.0 OUTLIER -146.95 137.91 23.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 588' ' ' GLU . . . . . 0.45 ' O ' ' HA ' ' A' ' 551' ' ' TYR . 3.1 pm0 -93.26 143.76 25.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 0.0 110.34 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 589' ' ' ALA . . . . . 0.56 ' HB3' ' CE2' ' A' ' 608' ' ' PHE . . . -138.88 146.99 41.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -133.3 162.75 30.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 591' ' ' PHE . . . . . 0.808 ' CE1' ' CD1' ' A' ' 615' ' ' TYR . 1.0 OUTLIER -124.0 138.22 54.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 111.036 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 592' ' ' ASN . . . . . 0.589 ' OD1' ' CE3' ' A' ' 598' ' ' TRP . 0.9 OUTLIER -150.27 155.84 40.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 29.4 p-10 -82.72 -29.44 29.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . -172.6 -52.1 0.04 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 14.7 t30 168.96 69.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 176.63 -44.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -100.16 83.67 2.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 598' ' ' TRP . . . . . 0.589 ' CE3' ' OD1' ' A' ' 592' ' ' ASN . 33.4 m95 -93.7 127.61 39.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.559 1.162 . . . . 0.0 108.014 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -93.61 13.67 21.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 600' ' ' SER . . . . . . . . . . . . . 38.1 p -58.07 -96.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.953 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 601' ' ' ASN . . . . . 0.427 ' O ' ' CB ' ' A' ' 602' ' ' ASN . 0.9 OUTLIER 170.87 40.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.15 . . . . 0.0 109.338 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 602' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 601' ' ' ASN . 1.8 t-20 76.22 -55.02 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 603' ' ' THR . . . . . 0.753 ' O ' HG23 ' A' ' 603' ' ' THR . 5.4 t -175.2 51.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 110.423 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 604' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 605' ' ' ASN . 1.2 mmtm -154.66 61.27 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 605' ' ' ASN . . . . . 0.408 ' O ' ' O ' ' A' ' 604' ' ' LYS . 26.0 m-20 -55.54 -166.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 606' ' ' TYR . . . . . 0.589 ' HB2' ' CZ ' ' A' ' 608' ' ' PHE . 79.7 m-85 -124.42 163.22 22.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.56 1.163 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 607' ' ' LEU . . . . . 0.77 ' N ' HD23 ' A' ' 607' ' ' LEU . 0.1 OUTLIER -108.55 130.77 55.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 608' ' ' PHE . . . . . 0.589 ' CZ ' ' HB2' ' A' ' 606' ' ' TYR . 40.5 m-85 -128.58 144.51 51.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.147 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 43.5 t -112.83 169.59 8.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.113 . . . . 0.0 110.026 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 610' ' ' THR . . . . . 1.029 ' CG2' HD11 ' A' ' 581' ' ' ILE . 51.2 p -58.27 165.83 1.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.418 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 114.49 -126.45 7.28 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.519 1.137 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 612' ' ' THR . . . . . 0.704 HG21 ' HB2' ' A' ' 630' ' ' ALA . 1.5 m -126.78 134.37 50.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 0.785 . . . . 0.0 110.407 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.32 157.75 44.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.011 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 614' ' ' THR . . . . . 0.495 ' O ' ' CG2' ' A' ' 626' ' ' ILE . 84.8 m -132.64 131.36 41.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.436 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 615' ' ' TYR . . . . . 0.808 ' CD1' ' CE1' ' A' ' 591' ' ' PHE . 0.2 OUTLIER -109.51 116.45 31.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.082 . . . . 0.0 111.0 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 52.4 m -120.15 89.91 43.76 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 110.396 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 617' ' ' PRO . . . . . 0.577 ' HG3' ' CD2' ' A' ' 591' ' ' PHE . 18.4 Cg_endo -75.0 168.61 24.46 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.484 1.781 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . -82.06 -159.72 25.47 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.502 1.126 . . . . 0.0 111.044 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -123.57 -50.79 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 0.0 109.955 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 620' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -94.21 65.75 3.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . 40.06 51.05 3.49 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 622' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 623' ' ' ALA . . . -122.42 104.79 9.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 623' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 622' ' ' ALA . . . -38.62 130.64 1.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 624' ' ' GLY . . . . . . . . . . . . . . . -93.35 -134.74 7.15 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.476 1.11 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -152.26 170.52 19.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 0.777 . . . . 0.0 110.416 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 626' ' ' ILE . . . . . 0.495 ' CG2' ' O ' ' A' ' 614' ' ' THR . 0.1 OUTLIER -121.89 134.25 65.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.01 121.7 41.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.78 148.77 36.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.435 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 106.63 140.74 9.92 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.704 ' HB2' HG21 ' A' ' 612' ' ' THR . . . -60.6 119.37 43.15 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.458 0.74 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 167.22 27.55 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.531 1.806 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -173.02 79.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.969 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 633' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.534 1.147 . . . . 0.0 111.018 179.98 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . 45.97 -169.8 0.03 OUTLIER Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 26.5 m -157.5 145.85 19.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 110.354 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 66.3 p -139.71 155.89 47.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.375 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 534' ' ' ASN . . . . . 0.47 ' O ' ' HG3' ' A' ' 535' ' ' LYS . 1.9 m-20 -109.43 172.35 6.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 535' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' A' ' 534' ' ' ASN . 5.1 mtpp -139.76 156.13 46.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 536' ' ' VAL . . . . . 0.743 HG22 ' O ' ' A' ' 579' ' ' VAL . 2.6 m -125.04 119.24 55.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 3.9 m -101.25 122.78 44.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.394 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 538' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 576' ' ' LYS . 1.4 t -127.06 128.63 70.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 539' ' ' TYR . . . . . 0.409 ' CD2' ' HG2' ' A' ' 631' ' ' PRO . 7.3 m-85 -104.8 131.06 52.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 540' ' ' TYR . . . . . 0.643 ' CD1' ' CE2' ' A' ' 591' ' ' PHE . 81.2 t80 -115.27 138.73 50.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -88.7 113.85 24.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 542' ' ' LYS . . . . . 0.467 ' HA ' ' HA3' ' A' ' 543' ' ' GLY . 7.4 ttpt -93.65 139.44 30.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 543' ' ' GLY . . . . . 0.467 ' HA3' ' HA ' ' A' ' 542' ' ' LYS . . . 155.83 -134.03 3.96 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.453 1.096 . . . . 0.0 110.997 0.04 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -118.48 -75.82 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -154.55 -50.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 546' ' ' SER . . . . . 0.44 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 0.4 OUTLIER -168.35 62.58 0.54 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.042 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 547' ' ' PRO . . . . . 0.44 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.3 Cg_endo -75.03 148.82 35.67 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.452 1.764 . . . . 0.0 110.949 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 548' ' ' TYR . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 565' ' ' LYS . 2.1 m-85 -104.03 160.91 14.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 111.003 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 549' ' ' ILE . . . . . 0.928 HD11 ' HB1' ' A' ' 589' ' ' ALA . 0.2 OUTLIER -128.8 142.74 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 550' ' ' HIS . . . . . 0.494 ' CE1' ' HB2' ' A' ' 561' ' ' ALA . 13.6 t-160 -124.09 116.43 22.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.557 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 551' ' ' TYR . . . . . 0.915 ' CE2' HD13 ' A' ' 577' ' ' ILE . 0.2 OUTLIER -126.47 160.77 29.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.933 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 552' ' ' ARG . . . . . 0.603 ' HD3' ' CD1' ' A' ' 558' ' ' TRP . 0.3 OUTLIER -145.02 151.06 47.81 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.248 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 553' ' ' PRO . . . . . 0.487 ' O ' ' C ' ' A' ' 554' ' ' ALA . 18.3 Cg_endo -75.0 154.04 42.19 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.479 1.778 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 554' ' ' ALA . . . . . 0.487 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -32.53 -73.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -124.23 86.28 0.37 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.537 1.148 . . . . 0.0 111.025 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -146.96 -91.05 0.1 OUTLIER Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 557' ' ' SER . . . . . 0.485 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 29.5 t -167.85 -178.86 3.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 0.0 109.979 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 558' ' ' TRP . . . . . 0.603 ' CD1' ' HD3' ' A' ' 552' ' ' ARG . 64.9 m95 -109.95 114.84 28.71 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 559' ' ' THR . . . . . 0.467 HG22 ' H ' ' A' ' 560' ' ' ALA . 8.7 m -47.21 173.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.41 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 560' ' ' ALA . . . . . 0.467 ' H ' HG22 ' A' ' 559' ' ' THR . . . -71.61 107.51 4.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 561' ' ' ALA . . . . . 0.494 ' HB2' ' CE1' ' A' ' 550' ' ' HIS . . . -69.29 134.66 89.06 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 562' ' ' PRO . . . . . 0.521 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.2 Cg_endo -75.0 149.71 94.28 Favored 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 120.998 -2.501 . . . . 0.0 110.98 0.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 563' ' ' GLY . . . . . 0.521 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -44.8 -105.81 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.467 1.105 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 564' ' ' VAL . . . . . 0.497 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.2 t -136.83 158.17 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 0.759 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 565' ' ' LYS . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 548' ' ' TYR . 0.6 OUTLIER -82.99 117.93 23.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 566' ' ' MET . . . . . 0.588 ' HG2' HG21 ' A' ' 549' ' ' ILE . 0.7 OUTLIER -33.43 148.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 111.013 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 567' ' ' GLN . . . . . 0.462 ' O ' ' O ' ' A' ' 576' ' ' LYS . 0.6 OUTLIER -109.57 111.85 23.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 568' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 567' ' ' GLN . 0.0 OUTLIER -38.2 146.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -90.48 -145.69 0.18 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -130.29 6.01 4.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 571' ' ' ILE . . . . . 0.583 HG21 ' CB ' ' A' ' 632' ' ' SER . 80.7 mt -78.95 -81.14 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 167.49 99.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.013 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 82.06 8.93 85.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.52 1.137 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -104.56 154.59 19.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.773 . . . . 0.0 110.987 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 575' ' ' ALA . . . . . 0.532 ' HB1' ' HB3' ' A' ' 566' ' ' MET . . . -115.8 156.52 25.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 576' ' ' LYS . . . . . 0.462 ' O ' ' O ' ' A' ' 567' ' ' GLN . 2.9 ptmt -152.85 146.87 25.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 577' ' ' ILE . . . . . 0.915 HD13 ' CE2' ' A' ' 551' ' ' TYR . 0.8 OUTLIER -137.54 151.62 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 578' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 3.9 m -128.73 128.74 44.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.429 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 579' ' ' VAL . . . . . 0.743 ' O ' HG22 ' A' ' 536' ' ' VAL . 22.6 t -130.78 136.52 58.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 580' ' ' ASP . . . . . 0.492 ' O ' ' CG2' ' A' ' 581' ' ' ILE . 13.2 t70 -79.79 150.29 30.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 581' ' ' ILE . . . . . 0.803 ' HB ' ' HB3' ' A' ' 584' ' ' ALA . 34.7 pt -156.14 50.94 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 582' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 581' ' ' ILE . . . -32.7 -78.22 0.03 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.454 1.096 . . . . 0.0 110.971 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.81 -30.33 40.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 109.975 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 584' ' ' ALA . . . . . 0.803 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -60.94 136.57 58.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.256 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 80.7 p -115.46 -2.66 12.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.035 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -151.53 138.03 18.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.338 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.725 HD11 HG11 ' A' ' 579' ' ' VAL . 6.0 tt -138.6 134.74 34.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 109.258 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 588' ' ' GLU . . . . . 0.586 ' N ' HD23 ' A' ' 587' ' ' LEU . 0.9 OUTLIER -100.73 145.77 28.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 589' ' ' ALA . . . . . 0.928 ' HB1' HD11 ' A' ' 549' ' ' ILE . . . -140.09 141.02 36.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 590' ' ' ALA . . . . . 0.444 ' HB2' ' OD1' ' A' ' 605' ' ' ASN . . . -122.17 162.33 21.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 591' ' ' PHE . . . . . 0.802 ' CE1' ' CE1' ' A' ' 615' ' ' TYR . 12.9 m-85 -129.97 127.37 39.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 592' ' ' ASN . . . . . 0.414 ' HA ' ' O ' ' A' ' 597' ' ' ASN . 2.3 p30 -149.59 138.21 20.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 593' ' ' ASP . . . . . 0.426 ' CG ' ' CB ' ' A' ' 597' ' ' ASN . 42.8 p-10 -51.92 -32.53 33.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.078 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 114.47 8.37 16.68 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.487 1.117 . . . . 0.0 110.967 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 -124.27 -94.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -121.18 -1.04 9.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 597' ' ' ASN . . . . . 0.426 ' CB ' ' CG ' ' A' ' 593' ' ' ASP . 2.4 t30 -92.04 92.64 8.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 55.7 m95 -117.38 135.06 54.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 108.041 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -141.04 106.65 5.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 600' ' ' SER . . . . . 0.429 ' CB ' ' OD1' ' A' ' 605' ' ' ASN . 0.1 OUTLIER -161.28 -69.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.992 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 601' ' ' ASN . . . . . 0.471 ' O ' ' CB ' ' A' ' 602' ' ' ASN . 1.3 m-20 162.28 -28.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 602' ' ' ASN . . . . . 0.471 ' CB ' ' O ' ' A' ' 601' ' ' ASN . 1.2 m120 80.76 111.3 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 603' ' ' THR . . . . . 0.756 ' O ' HG23 ' A' ' 603' ' ' THR . 0.7 OUTLIER 48.52 34.77 5.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.417 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 604' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' A' ' 605' ' ' ASN . 0.0 OUTLIER -148.07 -63.95 0.26 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 605' ' ' ASN . . . . . 0.464 ' O ' ' O ' ' A' ' 604' ' ' LYS . 15.2 m-80 42.89 -168.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 606' ' ' TYR . . . . . 0.617 ' HB2' ' CZ ' ' A' ' 608' ' ' PHE . 96.9 m-85 -108.12 162.8 13.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 1.4 mp -115.03 120.23 39.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 608' ' ' PHE . . . . . 0.617 ' CZ ' ' HB2' ' A' ' 606' ' ' TYR . 9.0 m-85 -123.34 146.85 47.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 111.024 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 22.9 t -111.45 171.47 7.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.968 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 610' ' ' THR . . . . . 0.747 HG23 HD11 ' A' ' 581' ' ' ILE . 44.2 p -43.56 166.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.385 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 105.52 -164.68 14.02 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.513 1.133 . . . . 0.0 111.052 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 612' ' ' THR . . . . . 0.435 HG21 ' CA ' ' A' ' 630' ' ' ALA . 14.1 m -103.27 132.57 49.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.765 . . . . 0.0 110.383 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 14.5 m -139.38 157.23 46.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.991 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 614' ' ' THR . . . . . 0.501 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 7.0 m -133.69 114.72 13.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.408 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 615' ' ' TYR . . . . . 0.802 ' CE1' ' CE1' ' A' ' 591' ' ' PHE . 29.0 t80 -96.66 117.49 31.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 111.037 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 73.6 m -115.51 117.45 40.51 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.377 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 617' ' ' PRO . . . . . 0.452 ' HG3' ' CE1' ' A' ' 540' ' ' TYR . 18.2 Cg_endo -74.98 158.55 42.22 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.524 1.802 . . . . 0.0 110.972 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . -80.21 -155.71 11.47 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.481 1.113 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 61.2 m -73.4 -57.17 4.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 0.0 109.978 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 620' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -166.29 130.32 2.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . 45.72 25.26 1.45 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 622' ' ' ALA . . . . . . . . . . . . . . . -123.16 104.68 9.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 0.749 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 623' ' ' ALA . . . . . 0.488 ' HB1' ' OH ' ' A' ' 606' ' ' TYR . . . -42.95 141.73 1.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 624' ' ' GLY . . . . . 0.404 ' C ' HG23 ' A' ' 625' ' ' THR . . . -104.15 -134.0 8.01 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.454 1.096 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 625' ' ' THR . . . . . 0.404 HG23 ' C ' ' A' ' 624' ' ' GLY . 19.7 p -151.8 162.37 41.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 110.365 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 626' ' ' ILE . . . . . 0.55 HG23 ' HA ' ' A' ' 615' ' ' TYR . 0.2 OUTLIER -121.02 128.11 76.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.14 124.64 51.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.87 148.41 38.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.455 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 105.12 143.55 12.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.435 ' CA ' HG21 ' A' ' 612' ' ' THR . . . -59.23 120.38 47.19 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.538 0.787 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 631' ' ' PRO . . . . . 0.484 ' HG3' ' CG2' ' A' ' 614' ' ' THR . 18.4 Cg_endo -74.98 162.1 37.72 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.484 1.781 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 632' ' ' SER . . . . . 0.583 ' CB ' HG21 ' A' ' 571' ' ' ILE . 0.1 OUTLIER 43.43 23.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.018 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 633' ' ' GLY . . . . . 0.459 ' N ' ' C ' ' A' ' 631' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.521 1.138 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 531' ' ' GLY . . . . . 0.439 ' O ' ' CB ' ' A' ' 532' ' ' THR . . . 115.12 -6.73 21.52 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 532' ' ' THR . . . . . 0.439 ' CB ' ' O ' ' A' ' 531' ' ' GLY . 2.5 m 79.21 -3.03 2.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 0.778 . . . . 0.0 110.365 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 39.6 p -98.67 158.72 15.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.414 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 534' ' ' ASN . . . . . 0.621 ' HB3' HG21 ' A' ' 610' ' ' THR . 1.3 m-20 -86.93 172.9 9.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 535' ' ' LYS . . . . . 0.577 ' HB3' HG22 ' A' ' 578' ' ' THR . 1.9 mptt -144.48 145.26 31.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 536' ' ' VAL . . . . . 0.644 HG13 ' HA ' ' A' ' 610' ' ' THR . 0.2 OUTLIER -114.6 121.63 67.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 11.2 m -101.44 123.32 45.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.404 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 538' ' ' VAL . . . . . 0.547 HG13 ' HB2' ' A' ' 613' ' ' SER . 2.1 t -125.3 131.44 72.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 539' ' ' TYR . . . . . 0.429 ' HA ' ' O ' ' A' ' 575' ' ' ALA . 2.3 m-85 -107.11 118.98 38.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 540' ' ' TYR . . . . . 0.59 ' CD2' ' CZ ' ' A' ' 591' ' ' PHE . 42.6 t80 -113.08 139.11 48.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 7.0 ttpp -86.57 113.21 22.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 542' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -82.32 139.04 34.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 157.08 -131.32 2.89 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 0.034 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -122.35 -77.74 0.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 0.743 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -155.51 -51.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.244 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 546' ' ' SER . . . . . 0.437 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 2.2 m -169.94 62.9 0.45 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.026 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 547' ' ' PRO . . . . . 0.437 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.2 Cg_endo -74.93 159.06 42.05 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.501 1.79 . . . . 0.0 110.964 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 548' ' ' TYR . . . . . 0.565 ' CE1' ' HB2' ' A' ' 565' ' ' LYS . 2.1 m-85 -118.43 147.4 43.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 549' ' ' ILE . . . . . 0.615 HG12 ' CD2' ' A' ' 551' ' ' TYR . 0.3 OUTLIER -117.13 143.77 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.281 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 550' ' ' HIS . . . . . 0.665 ' CE1' ' HB2' ' A' ' 561' ' ' ALA . 14.8 t-160 -129.77 118.7 22.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.573 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 551' ' ' TYR . . . . . 0.615 ' CD2' HG12 ' A' ' 549' ' ' ILE . 0.5 OUTLIER -128.95 160.87 31.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 552' ' ' ARG . . . . . 0.568 ' HD3' ' CE2' ' A' ' 558' ' ' TRP . 6.8 ptt-85 -141.02 173.59 4.74 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 553' ' ' PRO . . . . . 0.602 ' O ' ' C ' ' A' ' 554' ' ' ALA . 18.4 Cg_endo -74.99 160.44 40.19 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.546 1.814 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 554' ' ' ALA . . . . . 0.602 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -22.52 -54.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 555' ' ' GLY . . . . . 0.526 ' HA2' HH21 ' A' ' 552' ' ' ARG . . . -174.08 80.07 0.08 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.128 . . . . 0.0 111.048 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -138.06 -95.29 0.35 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.53 146.51 47.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 0.766 . . . . 0.0 110.024 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 558' ' ' TRP . . . . . 0.568 ' CE2' ' HD3' ' A' ' 552' ' ' ARG . 22.3 m95 -86.64 120.48 28.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 108.02 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 559' ' ' THR . . . . . 0.406 ' O ' ' O ' ' A' ' 558' ' ' TRP . 4.8 m -43.17 167.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.381 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 560' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -65.81 107.69 1.89 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 561' ' ' ALA . . . . . 0.665 ' HB2' ' CE1' ' A' ' 550' ' ' HIS . . . -75.64 134.0 73.06 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 562' ' ' PRO . . . . . 0.49 ' C ' ' HA ' ' A' ' 561' ' ' ALA . 18.3 Cg_endo -75.05 148.2 91.08 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 120.967 -2.514 . . . . 0.0 110.993 0.014 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 563' ' ' GLY . . . . . 0.486 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -45.81 -104.15 0.01 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 564' ' ' VAL . . . . . 0.542 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 2.0 t -135.88 157.92 38.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 0.772 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 565' ' ' LYS . . . . . 0.565 ' HB2' ' CE1' ' A' ' 548' ' ' TYR . 0.0 OUTLIER -90.29 117.7 29.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 566' ' ' MET . . . . . 0.535 ' HE1' ' HB2' ' A' ' 540' ' ' TYR . 3.6 mtp -36.27 127.44 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 567' ' ' GLN . . . . . 0.459 ' O ' ' O ' ' A' ' 576' ' ' LYS . 2.0 mt-30 -100.16 118.23 36.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 568' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 567' ' ' GLN . 0.2 OUTLIER -39.19 150.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.46 ' HA ' ' CD ' ' A' ' 576' ' ' LYS . . . -89.15 -146.02 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -126.57 6.37 6.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.266 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 571' ' ' ILE . . . . . 0.481 HG22 ' N ' ' A' ' 572' ' ' SER . 4.3 mm -81.39 -93.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 572' ' ' SER . . . . . 0.481 ' N ' HG22 ' A' ' 571' ' ' ILE . 0.2 OUTLIER 177.47 93.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.996 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 91.9 9.68 62.19 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -103.51 158.8 16.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 0.787 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 575' ' ' ALA . . . . . 0.429 ' O ' ' HA ' ' A' ' 539' ' ' TYR . . . -117.16 154.88 30.31 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 576' ' ' LYS . . . . . 0.46 ' CD ' ' HA ' ' A' ' 569' ' ' ALA . 0.0 OUTLIER -150.85 132.49 14.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 577' ' ' ILE . . . . . 1.067 HD13 ' O ' ' A' ' 577' ' ' ILE . 0.0 OUTLIER -133.97 148.3 30.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 578' ' ' THR . . . . . 0.577 HG22 ' HB3' ' A' ' 535' ' ' LYS . 3.9 m -120.7 135.64 55.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.397 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 579' ' ' VAL . . . . . 0.798 HG11 HD11 ' A' ' 587' ' ' LEU . 4.8 t -128.96 122.71 57.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 580' ' ' ASP . . . . . 0.442 ' HA ' ' O ' ' A' ' 534' ' ' ASN . 0.0 OUTLIER -87.32 129.56 34.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 581' ' ' ILE . . . . . 0.948 ' HB ' ' HB3' ' A' ' 584' ' ' ALA . 18.6 pt -107.11 -46.57 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 582' ' ' GLY . . . . . 0.537 ' O ' ' CB ' ' A' ' 583' ' ' SER . . . 49.51 92.47 0.01 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.462 1.101 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 583' ' ' SER . . . . . 0.537 ' CB ' ' O ' ' A' ' 582' ' ' GLY . 0.4 OUTLIER 88.52 41.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 109.968 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 584' ' ' ALA . . . . . 0.948 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -154.41 145.52 22.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 78.7 p -113.66 0.5 14.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 109.976 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 586' ' ' GLN . . . . . 0.469 ' O ' ' CA ' ' A' ' 554' ' ' ALA . 91.3 mt-30 -151.48 138.95 19.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 587' ' ' LEU . . . . . 0.798 HD11 HG11 ' A' ' 579' ' ' VAL . 0.0 OUTLIER -141.21 142.83 33.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 0.0 109.258 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 588' ' ' GLU . . . . . 0.439 ' CD ' ' CB ' ' A' ' 605' ' ' ASN . 6.6 tt0 -92.14 146.98 23.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 589' ' ' ALA . . . . . 0.649 ' HB3' ' CE2' ' A' ' 608' ' ' PHE . . . -142.85 138.69 30.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -128.29 162.84 26.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 591' ' ' PHE . . . . . 0.59 ' CZ ' ' CD2' ' A' ' 540' ' ' TYR . 1.3 m-85 -121.7 127.42 50.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 592' ' ' ASN . . . . . 0.518 ' HB3' ' CE3' ' A' ' 598' ' ' TRP . 11.2 p30 -142.95 136.04 28.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 593' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 597' ' ' ASN . 20.2 p-10 -61.0 -28.15 68.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 102.05 2.65 51.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 595' ' ' ASN . . . . . 0.443 ' O ' ' HB2' ' A' ' 596' ' ' ASN . 1.4 t-20 -111.64 -32.95 6.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 0.74 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 596' ' ' ASN . . . . . 0.443 ' HB2' ' O ' ' A' ' 595' ' ' ASN . 7.7 t-20 172.11 -37.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 597' ' ' ASN . . . . . 0.461 ' N ' ' OD1' ' A' ' 593' ' ' ASP . 15.6 t-20 -48.3 117.47 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 598' ' ' TRP . . . . . 0.518 ' CE3' ' HB3' ' A' ' 592' ' ' ASN . 57.0 m95 -122.28 131.37 53.88 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.27 159.84 37.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 600' ' ' SER . . . . . . . . . . . . . 20.1 m -166.92 -73.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.95 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 601' ' ' ASN . . . . . . . . . . . . . 6.8 t30 169.88 -63.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -142.98 -81.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 603' ' ' THR . . . . . . . . . . . . . 15.0 t -159.51 24.39 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.392 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 604' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 605' ' ' ASN . 0.0 OUTLIER -150.75 19.46 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 605' ' ' ASN . . . . . 0.564 ' ND2' ' O ' ' A' ' 589' ' ' ALA . 0.2 OUTLIER 36.46 -150.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 606' ' ' TYR . . . . . 0.675 ' CD2' HD11 ' A' ' 626' ' ' ILE . 10.7 m-85 -124.17 154.15 40.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 6.4 mp -103.96 121.2 42.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 608' ' ' PHE . . . . . 0.649 ' CE2' ' HB3' ' A' ' 589' ' ' ALA . 32.5 m-85 -122.16 142.72 50.11 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 110.958 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 609' ' ' SER . . . . . 0.568 ' O ' HG13 ' A' ' 536' ' ' VAL . 4.8 t -112.53 166.39 11.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.982 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 610' ' ' THR . . . . . 0.831 ' CG2' HD11 ' A' ' 581' ' ' ILE . 40.2 p -56.07 160.37 2.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.405 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 118.18 -126.87 7.05 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 612' ' ' THR . . . . . 0.638 HG21 ' HB2' ' A' ' 630' ' ' ALA . 2.5 m -128.4 134.71 48.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 0.78 . . . . 0.0 110.405 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 613' ' ' SER . . . . . 0.547 ' HB2' HG13 ' A' ' 538' ' ' VAL . 8.0 m -137.63 158.12 45.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 110.027 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 614' ' ' THR . . . . . 0.543 HG23 ' HG3' ' A' ' 631' ' ' PRO . 3.7 m -133.0 115.63 15.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.439 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 615' ' ' TYR . . . . . 0.505 ' HA ' HG23 ' A' ' 626' ' ' ILE . 0.1 OUTLIER -97.86 117.16 31.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 111.02 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 18.6 m -117.61 116.45 36.75 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.402 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 617' ' ' PRO . . . . . 0.588 ' HG3' ' CE2' ' A' ' 540' ' ' TYR . 18.3 Cg_endo -75.02 178.56 7.1 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.535 1.808 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . -119.56 -156.08 9.92 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 40.1 t -130.38 145.96 51.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 0.736 . . . . 0.0 110.006 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 620' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 60.67 62.08 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . 38.01 54.62 1.95 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.483 1.114 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 622' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 623' ' ' ALA . . . -123.11 104.97 9.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 623' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 622' ' ' ALA . . . -39.42 145.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 624' ' ' GLY . . . . . . . . . . . . . . . -102.12 -134.54 8.46 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 8.2 p -151.38 163.55 38.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 0.747 . . . . 0.0 110.399 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 626' ' ' ILE . . . . . 0.675 HD11 ' CD2' ' A' ' 606' ' ' TYR . 0.1 OUTLIER -121.16 127.84 75.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.82 123.77 51.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.22 149.12 37.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 110.338 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 107.99 139.88 9.14 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.638 ' HB2' HG21 ' A' ' 612' ' ' THR . . . -60.07 120.84 54.31 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.555 0.797 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 631' ' ' PRO . . . . . 0.543 ' HG3' HG23 ' A' ' 614' ' ' THR . 18.2 Cg_endo -75.02 160.74 39.72 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.523 1.802 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 8.7 t -142.78 86.04 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.993 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 633' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.51 1.131 . . . . 0.0 110.959 179.963 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 534' ' ' ASN . . . . . 0.559 ' HB3' HG21 ' A' ' 610' ' ' THR . 1.2 m-20 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 19.7 mttt -144.59 151.46 39.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . 0.727 HG22 ' O ' ' A' ' 579' ' ' VAL . 0.4 OUTLIER -119.97 117.2 52.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.344 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 5.9 m -101.49 122.12 43.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.411 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 538' ' ' VAL . . . . . 0.489 HG12 ' HB2' ' A' ' 615' ' ' TYR . 3.0 t -126.67 132.78 69.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 539' ' ' TYR . . . . . 0.57 ' CD2' ' HG2' ' A' ' 631' ' ' PRO . 1.2 m-85 -107.16 122.87 47.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 111.044 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 540' ' ' TYR . . . . . 0.815 ' CD1' ' CZ ' ' A' ' 591' ' ' PHE . 41.1 t80 -108.52 139.33 43.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -91.99 114.87 27.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 542' ' ' LYS . . . . . 0.416 ' HG3' ' CA ' ' A' ' 543' ' ' GLY . 5.6 ttpt -80.41 138.67 36.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 543' ' ' GLY . . . . . 0.416 ' CA ' ' HG3' ' A' ' 542' ' ' LYS . . . 155.57 -130.29 2.74 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.544 1.152 . . . . 0.0 111.01 -0.018 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -130.53 -86.09 0.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 0.79 . . . . 0.0 110.979 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -147.42 -52.24 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . 0.474 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 27.6 t -164.65 61.19 0.83 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 547' ' ' PRO . . . . . 0.474 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.4 Cg_endo -74.98 149.64 37.09 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.489 1.783 . . . . 0.0 111.033 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 548' ' ' TYR . . . . . 0.467 ' CE2' ' HB2' ' A' ' 565' ' ' LYS . 3.2 m-85 -110.38 151.85 26.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 111.038 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . 0.612 HG12 ' CD2' ' A' ' 551' ' ' TYR . 0.9 OUTLIER -117.61 143.01 29.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 550' ' ' HIS . . . . . 0.465 ' CE1' ' O ' ' A' ' 559' ' ' THR . 0.8 OUTLIER -128.64 117.18 20.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.622 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 551' ' ' TYR . . . . . 0.612 ' CD2' HG12 ' A' ' 549' ' ' ILE . 0.3 OUTLIER -132.64 161.87 32.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 552' ' ' ARG . . . . . 0.575 ' HG2' ' CH2' ' A' ' 558' ' ' TRP . 9.1 ptt180 -146.39 159.31 45.44 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.3 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 553' ' ' PRO . . . . . 0.715 ' O ' ' C ' ' A' ' 554' ' ' ALA . 18.3 Cg_endo -75.04 141.16 26.2 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.498 1.789 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . 0.715 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -4.51 83.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.419 1.075 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 555' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 553' ' ' PRO . . . 32.55 68.83 0.15 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.555 1.16 . . . . 0.0 111.045 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 553' ' ' PRO . . . -123.09 -92.41 1.06 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 557' ' ' SER . . . . . 0.421 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 0.0 OUTLIER -115.63 138.36 51.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 0.741 . . . . 0.0 109.988 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 558' ' ' TRP . . . . . 0.575 ' CH2' ' HG2' ' A' ' 552' ' ' ARG . 71.3 m95 -95.33 102.99 14.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 107.983 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 559' ' ' THR . . . . . 0.465 ' O ' ' CE1' ' A' ' 550' ' ' HIS . 14.8 m -41.12 164.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.38 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 560' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -57.36 110.07 0.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 561' ' ' ALA . . . . . 0.503 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -74.23 132.97 78.53 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 562' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 561' ' ' ALA . 18.3 Cg_endo -74.95 144.46 81.05 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 121.022 -2.491 . . . . 0.0 111.013 -0.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 563' ' ' GLY . . . . . 0.478 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -38.78 -98.59 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.446 1.091 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 564' ' ' VAL . . . . . 0.531 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.8 t -136.52 158.33 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 0.784 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 565' ' ' LYS . . . . . 0.483 ' O ' ' C ' ' A' ' 566' ' ' MET . 0.1 OUTLIER -86.85 115.1 24.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 566' ' ' MET . . . . . 0.639 ' HE3' ' HB2' ' A' ' 540' ' ' TYR . 2.4 mmt -30.39 125.3 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 568' ' ' ASP . 6.8 mt-30 -90.19 111.99 23.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.249 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 567' ' ' GLN . 0.1 OUTLIER -36.83 145.22 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -79.35 -144.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -130.01 5.01 4.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.304 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 571' ' ' ILE . . . . . . . . . . . . . 43.6 mt -83.87 -86.68 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 171.53 95.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.043 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 95.34 8.25 58.8 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.547 1.155 . . . . 0.0 111.056 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -104.55 160.45 14.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 0.765 . . . . 0.0 110.96 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 575' ' ' ALA . . . . . 0.558 ' HB1' ' HB3' ' A' ' 566' ' ' MET . . . -121.69 155.88 34.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 576' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 567' ' ' GLN . 7.4 ptmt -155.22 145.84 22.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 577' ' ' ILE . . . . . 1.033 ' O ' HD13 ' A' ' 577' ' ' ILE . 0.0 OUTLIER -141.63 147.99 21.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 578' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 5.6 m -125.23 132.01 53.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.377 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . 0.727 ' O ' HG22 ' A' ' 536' ' ' VAL . 3.0 t -129.41 128.52 66.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 580' ' ' ASP . . . . . 0.439 ' HA ' ' O ' ' A' ' 534' ' ' ASN . 8.7 t70 -80.28 150.05 30.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 581' ' ' ILE . . . . . 0.892 HD11 HG23 ' A' ' 610' ' ' THR . 40.2 pt -149.77 57.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 582' ' ' GLY . . . . . 0.495 ' O ' ' CB ' ' A' ' 583' ' ' SER . . . -68.34 57.58 0.44 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.567 1.167 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 583' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 582' ' ' GLY . 0.6 OUTLIER 159.03 -25.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 0.792 . . . . 0.0 109.981 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 584' ' ' ALA . . . . . 0.694 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -96.58 140.55 31.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.79 -4.29 21.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.984 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 586' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' ' 608' ' ' PHE . 62.8 mt-30 -151.53 138.51 19.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.569 HD22 HG21 ' A' ' 536' ' ' VAL . 0.1 OUTLIER -135.39 142.01 45.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . 0.47 ' HA ' ' O ' ' A' ' 606' ' ' TYR . 3.3 pm0 -105.31 142.66 34.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.285 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 589' ' ' ALA . . . . . 0.561 ' CB ' ' HB3' ' A' ' 551' ' ' TYR . . . -135.25 146.55 48.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.487 ' HB2' HD21 ' A' ' 605' ' ' ASN . . . -125.81 163.75 22.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 591' ' ' PHE . . . . . 0.815 ' CZ ' ' CD1' ' A' ' 540' ' ' TYR . 0.8 OUTLIER -125.18 127.12 46.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 111.045 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -143.94 135.48 25.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 593' ' ' ASP . 0.0 OUTLIER -68.9 -16.0 63.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 92.17 16.69 49.64 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.125 . . . . 0.0 110.995 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -141.24 67.66 1.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 0.771 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 4.4 m120 48.72 26.25 1.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -116.32 77.0 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 60.3 m95 -92.68 152.92 19.27 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 16.6 t0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 605' ' ' ASN . . . . . 0.487 HD21 ' HB2' ' A' ' 590' ' ' ALA . 29.5 m120 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 606' ' ' TYR . . . . . 0.614 ' HB2' ' CZ ' ' A' ' 608' ' ' PHE . 30.8 m-85 -109.72 162.6 14.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.966 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 6.6 mt -104.98 121.91 44.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 608' ' ' PHE . . . . . 0.614 ' CZ ' ' HB2' ' A' ' 606' ' ' TYR . 7.2 m-85 -117.48 144.43 45.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 15.6 t -112.53 166.89 10.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.032 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 610' ' ' THR . . . . . 0.892 HG23 HD11 ' A' ' 581' ' ' ILE . 34.1 p -53.62 162.47 0.84 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.403 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 113.73 -143.81 18.01 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 612' ' ' THR . . . . . 0.606 HG21 ' HB2' ' A' ' 630' ' ' ALA . 2.0 m -114.19 126.73 55.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 0.78 . . . . 0.0 110.399 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 17.9 m -139.49 158.29 44.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.044 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . 0.504 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 6.6 m -133.12 122.47 24.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.414 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 615' ' ' TYR . . . . . 0.489 ' HB2' HG12 ' A' ' 538' ' ' VAL . 0.3 OUTLIER -97.57 122.12 40.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 111.007 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 54.9 m -131.52 126.7 21.28 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.377 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.523 1.802 . . . . 0.0 111.014 179.969 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 45.1 p . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 626' ' ' ILE . . . . . 0.565 HG12 ' CE1' ' A' ' 608' ' ' PHE . 0.1 OUTLIER -123.68 129.62 74.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.1 122.27 47.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.54 147.2 39.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.406 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 110.1 140.55 8.68 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.606 ' HB2' HG21 ' A' ' 612' ' ' THR . . . -59.84 118.52 32.84 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.492 0.76 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 631' ' ' PRO . . . . . 0.57 ' HG2' ' CD2' ' A' ' 539' ' ' TYR . 18.3 Cg_endo -75.06 156.9 42.75 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 27.0 p . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.416 1.073 . . . . 0.0 110.019 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 534' ' ' ASN . . . . . 0.791 ' HB3' HG21 ' A' ' 610' ' ' THR . 1.2 m-20 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 535' ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 579' ' ' VAL . 0.1 OUTLIER -145.64 154.74 42.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . 0.713 HG12 ' HA ' ' A' ' 610' ' ' THR . 32.7 m -121.43 113.32 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 21.0 m -103.28 121.34 42.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.356 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 538' ' ' VAL . . . . . 0.645 HG13 ' HB2' ' A' ' 613' ' ' SER . 2.2 t -126.65 130.84 71.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 539' ' ' TYR . . . . . 0.412 ' HA ' ' O ' ' A' ' 575' ' ' ALA . 2.6 m-85 -107.56 124.59 50.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 111.044 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 540' ' ' TYR . . . . . 0.598 ' CD2' ' SD ' ' A' ' 566' ' ' MET . 54.4 t80 -113.85 139.28 49.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 110.942 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 62.5 tttt -85.68 112.9 21.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 542' ' ' LYS . . . . . 0.416 ' HA ' ' HA3' ' A' ' 543' ' ' GLY . 1.8 ttpt -84.1 138.06 33.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 543' ' ' GLY . . . . . 0.416 ' HA3' ' HA ' ' A' ' 542' ' ' LYS . . . 156.84 -132.92 3.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.446 1.091 . . . . 0.0 110.977 0.048 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -120.29 -82.69 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -154.16 -48.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.246 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . 0.479 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 33.3 p -164.36 61.04 0.85 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.012 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 547' ' ' PRO . . . . . 0.479 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.3 Cg_endo -74.98 147.61 34.27 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.482 1.78 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 548' ' ' TYR . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 565' ' ' LYS . 8.1 m-85 -113.68 156.07 24.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . 0.8 HD13 ' O ' ' A' ' 564' ' ' VAL . 0.2 OUTLIER -127.48 140.19 49.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -121.81 114.07 20.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.578 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 551' ' ' TYR . . . . . 0.701 ' HB2' HD21 ' A' ' 587' ' ' LEU . 0.2 OUTLIER -125.95 160.93 28.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 552' ' ' ARG . . . . . 0.52 ' NE ' ' NE1' ' A' ' 558' ' ' TRP . 0.0 OUTLIER -148.47 147.49 25.54 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.31 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 553' ' ' PRO . . . . . 0.481 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.4 Cg_endo -74.96 147.72 34.47 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.537 1.809 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 586' ' ' GLN . . . -78.1 63.58 3.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 142.96 39.45 0.07 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . 0.427 ' HA3' ' HG2' ' A' ' 553' ' ' PRO . . . -142.84 -93.37 0.19 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 557' ' ' SER . . . . . 0.481 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 48.4 t -178.41 -174.32 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 0.0 109.987 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 558' ' ' TRP . . . . . 0.52 ' NE1' ' NE ' ' A' ' 552' ' ' ARG . 56.7 m95 -100.55 134.92 42.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 108.009 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 559' ' ' THR . . . . . 0.557 HG22 ' H ' ' A' ' 560' ' ' ALA . 87.8 m -72.45 175.61 6.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.382 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 560' ' ' ALA . . . . . 0.557 ' H ' HG22 ' A' ' 559' ' ' THR . . . -67.89 107.24 2.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 561' ' ' ALA . . . . . 0.511 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -70.41 134.07 86.94 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 562' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 561' ' ' ALA . 18.3 Cg_endo -75.01 147.51 89.44 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 120.981 -2.508 . . . . 0.0 110.991 0.009 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 563' ' ' GLY . . . . . 0.491 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -39.66 -99.48 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 564' ' ' VAL . . . . . 0.8 ' O ' HD13 ' A' ' 549' ' ' ILE . 1.7 t -137.9 159.16 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.434 0.726 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 565' ' ' LYS . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 548' ' ' TYR . 9.8 tptm -87.74 113.72 23.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 566' ' ' MET . . . . . 0.744 ' HB3' ' HB1' ' A' ' 575' ' ' ALA . 3.0 mtp -31.75 119.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 576' ' ' LYS . 2.8 mm-40 -87.0 118.25 26.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 110.313 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . 0.416 ' HA ' ' O ' ' A' ' 574' ' ' TYR . 0.0 OUTLIER -50.27 133.14 24.23 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.505 ' HB2' ' HB3' ' A' ' 576' ' ' LYS . . . -71.51 -144.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -122.48 4.56 9.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 571' ' ' ILE . . . . . 0.522 ' O ' ' CB ' ' A' ' 572' ' ' SER . 2.2 mm -85.01 -22.92 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 572' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 571' ' ' ILE . 1.3 t 86.75 110.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 94.15 -6.15 72.14 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . 0.416 ' O ' ' HA ' ' A' ' 568' ' ' ASP . 0.2 OUTLIER -105.52 161.02 14.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 0.0 111.004 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 575' ' ' ALA . . . . . 0.744 ' HB1' ' HB3' ' A' ' 566' ' ' MET . . . -115.5 154.58 29.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 576' ' ' LYS . . . . . 0.505 ' HB3' ' HB2' ' A' ' 569' ' ' ALA . 1.2 ptmm? -154.52 133.98 12.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 577' ' ' ILE . . . . . 1.03 ' O ' HD13 ' A' ' 577' ' ' ILE . 0.0 OUTLIER -131.62 146.64 33.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 578' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 4.3 m -128.69 128.54 44.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.378 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . 0.516 ' HB ' HG22 ' A' ' 536' ' ' VAL . 1.8 t -128.94 127.91 66.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 580' ' ' ASP . . . . . 0.421 ' HA ' ' O ' ' A' ' 534' ' ' ASN . 6.0 t70 -81.85 150.51 27.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.133 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 581' ' ' ILE . . . . . 0.796 HD11 HG23 ' A' ' 610' ' ' THR . 35.6 pt -153.02 61.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 582' ' ' GLY . . . . . 0.554 ' O ' ' CB ' ' A' ' 583' ' ' SER . . . -68.55 52.17 0.47 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 583' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' A' ' 582' ' ' GLY . 1.4 m 154.65 41.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.779 . . . . 0.0 109.934 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 584' ' ' ALA . . . . . 0.763 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -162.08 143.48 10.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.343 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.36 2.1 15.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 586' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' A' ' 554' ' ' ALA . 54.8 mt-30 -146.47 139.11 25.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.701 HD21 ' HB2' ' A' ' 551' ' ' TYR . 6.9 tt -139.62 133.32 30.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.257 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . 0.589 ' O ' HD23 ' A' ' 587' ' ' LEU . 4.8 tt0 -90.15 145.73 24.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 589' ' ' ALA . . . . . 0.47 ' O ' ' ND2' ' A' ' 605' ' ' ASN . . . -143.3 135.78 27.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.801 ' HB2' ' OD1' ' A' ' 605' ' ' ASN . . . -123.17 157.7 32.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 591' ' ' PHE . . . . . 0.786 ' CE1' ' CD1' ' A' ' 615' ' ' TYR . 7.4 m-85 -123.87 127.58 48.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 111.03 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -150.19 136.03 18.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . 0.472 ' OD2' ' N ' ' A' ' 593' ' ' ASP . 0.5 OUTLIER -68.49 -16.21 63.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 90.61 22.45 33.96 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -131.56 39.25 3.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 0.745 . . . . 0.0 109.344 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 69.73 22.08 6.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -114.65 77.35 1.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -98.66 134.8 41.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 108.007 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.13 . . . . 0.0 109.254 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 605' ' ' ASN . . . . . 0.801 ' OD1' ' HB2' ' A' ' 590' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 606' ' ' TYR . . . . . 0.64 ' CD2' HD11 ' A' ' 626' ' ' ILE . 4.7 m-85 -119.44 132.18 55.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . 0.512 HD22 ' C ' ' A' ' 606' ' ' TYR . 2.6 mm? -107.65 120.47 42.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 608' ' ' PHE . . . . . 1.127 ' CE1' HD12 ' A' ' 626' ' ' ILE . 11.2 m-85 -132.69 159.29 40.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 111.031 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 2.7 t -105.04 174.11 6.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.985 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 610' ' ' THR . . . . . 0.796 HG23 HD11 ' A' ' 581' ' ' ILE . 76.6 p -53.75 176.13 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.388 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 113.12 -133.09 11.07 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 612' ' ' THR . . . . . 0.412 HG21 ' HB2' ' A' ' 630' ' ' ALA . 11.9 m -130.29 129.02 42.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.76 . . . . 0.0 110.417 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 613' ' ' SER . . . . . 0.645 ' HB2' HG13 ' A' ' 538' ' ' VAL . 0.7 OUTLIER -140.12 158.38 44.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.163 . . . . 0.0 109.974 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . 0.483 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 58.6 m -134.16 125.04 27.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.452 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 615' ' ' TYR . . . . . 0.786 ' CD1' ' CE1' ' A' ' 591' ' ' PHE . 0.2 OUTLIER -97.82 123.34 41.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.971 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 17.6 m -112.54 123.77 33.31 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.351 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . 0.577 ' HG3' ' CE1' ' A' ' 540' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.531 1.806 . . . . 0.0 110.972 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 2.6 p . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 626' ' ' ILE . . . . . 1.127 HD12 ' CE1' ' A' ' 608' ' ' PHE . 0.6 OUTLIER -115.54 128.63 72.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.66 126.55 55.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 110.269 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.57 147.2 39.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.427 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 110.59 141.57 8.88 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.412 ' HB2' HG21 ' A' ' 612' ' ' THR . . . -59.37 121.85 59.54 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 163.99 34.19 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.51 1.795 . . . . 0.0 110.945 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 7.0 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.012 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 534' ' ' ASN . . . . . 0.418 ' O ' ' HA ' ' A' ' 580' ' ' ASP . 1.8 m-20 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 535' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 579' ' ' VAL . 17.6 mttt -147.27 156.72 43.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . 0.449 HG13 ' O ' ' A' ' 609' ' ' SER . 1.7 t -130.2 126.61 61.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 1.8 m -103.37 122.2 44.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 110.428 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 538' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 576' ' ' LYS . 0.3 OUTLIER -123.5 123.46 67.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 539' ' ' TYR . . . . . 0.494 ' CD2' ' HG2' ' A' ' 631' ' ' PRO . 0.8 OUTLIER -101.44 138.96 37.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 540' ' ' TYR . . . . . 0.629 ' HB2' ' HE2' ' A' ' 566' ' ' MET . 1.6 t80 -129.74 138.14 50.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 541' ' ' LYS . . . . . 0.473 ' O ' ' CE1' ' A' ' 540' ' ' TYR . 65.7 tttt -89.94 113.07 24.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 542' ' ' LYS . . . . . 0.504 ' HA ' ' HA3' ' A' ' 543' ' ' GLY . 3.1 ttpt -86.59 140.34 29.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 543' ' ' GLY . . . . . 0.504 ' HA3' ' HA ' ' A' ' 542' ' ' LYS . . . 147.78 -134.34 5.08 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 -0.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 544' ' ' PHE . 16.4 m-85 -119.02 -123.53 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -120.65 -46.57 2.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . 0.451 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 17.8 t -145.28 62.35 8.78 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.037 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 547' ' ' PRO . . . . . 0.451 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.1 Cg_endo -75.08 146.14 32.02 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.533 1.807 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -123.62 154.66 38.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . 0.644 HG21 ' SD ' ' A' ' 566' ' ' MET . 0.2 OUTLIER -127.18 142.73 42.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 550' ' ' HIS . . . . . 0.557 ' CD2' ' HB2' ' A' ' 561' ' ' ALA . 0.8 OUTLIER -125.36 117.2 23.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.634 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 551' ' ' TYR . . . . . 0.892 ' CE2' HD13 ' A' ' 577' ' ' ILE . 0.3 OUTLIER -127.37 161.21 29.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.965 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 552' ' ' ARG . . . . . 0.508 ' HG3' ' N ' ' A' ' 553' ' ' PRO . 0.0 OUTLIER -143.05 152.49 58.49 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.262 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 553' ' ' PRO . . . . . 0.52 ' O ' ' C ' ' A' ' 554' ' ' ALA . 18.2 Cg_endo -75.0 153.13 41.52 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.516 1.798 . . . . 0.0 111.033 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . 0.635 ' HB2' ' O ' ' A' ' 586' ' ' GLN . . . -30.06 -74.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -126.29 86.1 0.34 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.144 . . . . 0.0 111.036 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -145.67 -91.4 0.11 Allowed Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 557' ' ' SER . . . . . 0.493 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 28.9 t -165.6 -179.63 5.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 0.732 . . . . 0.0 109.997 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 558' ' ' TRP . . . . . 0.449 ' CD1' ' HD3' ' A' ' 552' ' ' ARG . 63.3 m95 -107.2 112.41 25.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 107.992 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 559' ' ' THR . . . . . 0.418 ' O ' ' CE1' ' A' ' 550' ' ' HIS . 8.9 m -45.31 171.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.387 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 560' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -68.06 107.62 2.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 561' ' ' ALA . . . . . 0.557 ' HB2' ' CD2' ' A' ' 550' ' ' HIS . . . -71.21 134.25 85.17 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 562' ' ' PRO . . . . . 0.519 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.4 Cg_endo -75.0 148.16 91.05 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.014 -0.034 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 563' ' ' GLY . . . . . 0.519 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -43.36 -104.07 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 564' ' ' VAL . . . . . 0.494 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.5 t -137.07 158.66 36.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.785 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 565' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 566' ' ' MET . 13.2 tmtt? -82.53 120.65 25.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 566' ' ' MET . . . . . 0.644 ' SD ' HG21 ' A' ' 549' ' ' ILE . 0.0 OUTLIER -35.78 131.25 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 568' ' ' ASP . 0.6 OUTLIER -91.44 110.23 21.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.173 . . . . 0.0 110.313 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 567' ' ' GLN . 0.0 OUTLIER -37.2 146.23 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -79.78 -142.04 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -131.07 7.01 4.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 571' ' ' ILE . . . . . 0.418 HG22 ' N ' ' A' ' 572' ' ' SER . 4.5 mt -89.08 -92.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 572' ' ' SER . . . . . 0.418 ' N ' HG22 ' A' ' 571' ' ' ILE . 0.2 OUTLIER 174.62 99.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.999 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 95.65 5.3 60.15 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.491 1.119 . . . . 0.0 111.041 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -104.59 159.25 15.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 110.985 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 575' ' ' ALA . . . . . 0.609 ' HB1' ' HG2' ' A' ' 566' ' ' MET . . . -123.54 156.49 35.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 576' ' ' LYS . . . . . 0.426 ' O ' ' O ' ' A' ' 567' ' ' GLN . 0.0 OUTLIER -154.05 156.17 36.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 577' ' ' ILE . . . . . 0.892 HD13 ' CE2' ' A' ' 551' ' ' TYR . 0.9 OUTLIER -143.45 151.31 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.266 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 578' ' ' THR . . . . . . . . . . . . . 3.9 m -129.06 125.62 37.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.367 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . 0.529 HG11 ' CD1' ' A' ' 587' ' ' LEU . 94.8 t -130.36 135.89 59.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 580' ' ' ASP . . . . . 0.501 ' O ' ' CG2' ' A' ' 581' ' ' ILE . 6.5 t70 -84.91 150.13 25.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 581' ' ' ILE . . . . . 0.937 ' HB ' ' HB3' ' A' ' 584' ' ' ALA . 24.2 pt -156.3 45.41 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -53.78 -19.96 11.63 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.35 35.98 4.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 109.945 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 584' ' ' ALA . . . . . 0.937 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -151.97 142.76 22.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.55 -4.49 14.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.994 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 586' ' ' GLN . . . . . 0.635 ' O ' ' HB2' ' A' ' 554' ' ' ALA . 3.2 mt-30 -151.43 139.15 19.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.315 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.529 ' CD1' HG11 ' A' ' 579' ' ' VAL . 0.1 OUTLIER -139.76 141.59 36.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -98.83 145.12 27.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 0.0 110.321 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 589' ' ' ALA . . . . . 0.432 ' O ' ' ND2' ' A' ' 605' ' ' ASN . . . -138.09 142.02 40.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.562 ' HB2' ' ND2' ' A' ' 605' ' ' ASN . . . -127.89 157.7 39.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 591' ' ' PHE . . . . . 0.489 ' CZ ' ' HE1' ' A' ' 566' ' ' MET . 7.3 m-85 -122.4 127.1 49.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 592' ' ' ASN . . . . . 0.409 ' HA ' ' O ' ' A' ' 597' ' ' ASN . 17.3 p30 -139.0 158.79 43.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 24.1 p-10 -82.71 -31.66 28.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 178.99 -47.8 0.09 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.566 1.166 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 10.9 t30 170.06 77.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 175.67 -37.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 597' ' ' ASN . . . . . 0.409 ' O ' ' HA ' ' A' ' 592' ' ' ASN . 17.5 m-20 -118.43 118.94 33.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 51.3 m95 -123.25 140.88 52.56 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 107.97 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 -179.949 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 605' ' ' ASN . . . . . 0.562 ' ND2' ' HB2' ' A' ' 590' ' ' ALA . 4.0 t-20 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 606' ' ' TYR . . . . . 0.62 ' CB ' ' CZ ' ' A' ' 608' ' ' PHE . 12.8 m-85 -111.39 160.9 16.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 4.8 mp -109.52 119.87 40.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 608' ' ' PHE . . . . . 0.62 ' CZ ' ' CB ' ' A' ' 606' ' ' TYR . 34.1 m-85 -125.05 141.35 52.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 111.044 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 609' ' ' SER . . . . . 0.449 ' O ' HG13 ' A' ' 536' ' ' VAL . 28.1 t -111.72 170.11 8.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.036 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 610' ' ' THR . . . . . 0.879 HG23 HD11 ' A' ' 581' ' ' ILE . 74.9 p -46.15 167.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.37 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 107.92 -150.74 16.95 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 612' ' ' THR . . . . . 0.507 HG21 ' HA ' ' A' ' 630' ' ' ALA . 17.6 m -114.71 135.54 54.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 0.753 . . . . 0.0 110.393 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.68 157.8 45.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . 0.525 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 3.6 m -133.63 112.4 11.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.378 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 615' ' ' TYR . . . . . 0.427 ' HA ' HG23 ' A' ' 626' ' ' ILE . 2.5 t80 -100.03 115.22 29.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 52.1 m -108.53 100.78 39.98 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.389 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.13 0 O-C-N 124.497 1.788 . . . . 0.0 110.991 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 6.2 p . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 626' ' ' ILE . . . . . 0.525 ' HA ' ' O ' ' A' ' 614' ' ' THR . 0.2 OUTLIER -120.82 124.0 71.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.76 122.37 46.61 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.462 1.101 . . . . 0.0 110.26 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.67 147.03 37.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.395 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 111.59 139.9 8.0 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 111.029 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.507 ' HA ' HG21 ' A' ' 612' ' ' THR . . . -63.13 113.88 10.83 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 631' ' ' PRO . . . . . 0.494 ' HG2' ' CD2' ' A' ' 539' ' ' TYR . 18.4 Cg_endo -74.98 166.32 29.46 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.501 1.79 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 99.6 p . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.004 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 534' ' ' ASN . . . . . 0.445 ' O ' ' HA ' ' A' ' 580' ' ' ASP . 1.6 m-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 535' ' ' LYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 579' ' ' VAL . 0.0 OUTLIER -145.69 156.4 43.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . 0.781 HG22 ' O ' ' A' ' 579' ' ' VAL . 13.3 m -125.02 119.27 55.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 16.3 m -100.39 121.87 42.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.345 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 538' ' ' VAL . . . . . 0.472 HG13 ' OG ' ' A' ' 613' ' ' SER . 1.6 t -124.89 127.76 72.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 539' ' ' TYR . . . . . 0.519 ' CD2' ' HG2' ' A' ' 631' ' ' PRO . 3.4 m-85 -107.92 130.2 55.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.965 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 540' ' ' TYR . . . . . 0.538 ' CE1' ' O ' ' A' ' 541' ' ' LYS . 1.2 t80 -125.53 138.22 53.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 541' ' ' LYS . . . . . 0.538 ' O ' ' CE1' ' A' ' 540' ' ' TYR . 12.5 tttt -89.55 114.11 25.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 542' ' ' LYS . . . . . 0.433 ' HA ' ' HA3' ' A' ' 543' ' ' GLY . 0.0 OUTLIER -103.42 143.89 32.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 543' ' ' GLY . . . . . 0.433 ' HA3' ' HA ' ' A' ' 542' ' ' LYS . . . 147.31 -119.85 1.17 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -0.009 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -106.71 -85.17 0.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 0.748 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -151.47 -51.58 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . 0.455 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 0.6 OUTLIER -166.98 62.06 0.64 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.989 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 547' ' ' PRO . . . . . 0.455 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.3 Cg_endo -74.99 145.03 30.98 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.505 1.792 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -95.76 161.53 13.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.958 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . 0.642 HD12 ' CG ' ' A' ' 566' ' ' MET . 0.1 OUTLIER -129.89 135.2 61.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 550' ' ' HIS . . . . . 0.632 ' CD2' ' HB2' ' A' ' 561' ' ' ALA . 0.8 OUTLIER -115.23 115.0 25.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 109.565 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 551' ' ' TYR . . . . . 0.804 ' CE2' HD13 ' A' ' 577' ' ' ILE . 0.1 OUTLIER -126.22 160.83 29.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 552' ' ' ARG . . . . . 0.504 ' NE ' ' NE1' ' A' ' 558' ' ' TRP . 0.0 OUTLIER -143.97 140.88 17.57 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.341 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 553' ' ' PRO . . . . . 0.485 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.3 Cg_endo -74.98 138.95 23.74 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.539 1.81 . . . . 0.0 111.014 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 586' ' ' GLN . . . -69.82 60.83 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 555' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 553' ' ' PRO . . . 147.73 39.3 0.04 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.54 1.15 . . . . 0.0 111.038 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . 0.43 ' HA3' ' HG2' ' A' ' 553' ' ' PRO . . . -145.35 -93.62 0.15 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 557' ' ' SER . . . . . 0.485 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 35.9 t -177.86 -173.62 0.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 0.737 . . . . 0.0 110.02 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 558' ' ' TRP . . . . . 0.504 ' NE1' ' NE ' ' A' ' 552' ' ' ARG . 52.6 m95 -99.58 112.64 24.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 108.038 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 559' ' ' THR . . . . . 0.535 HG22 ' H ' ' A' ' 560' ' ' ALA . 18.8 m -48.52 175.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 560' ' ' ALA . . . . . 0.535 ' H ' HG22 ' A' ' 559' ' ' THR . . . -72.37 107.0 4.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 561' ' ' ALA . . . . . 0.632 ' HB2' ' CD2' ' A' ' 550' ' ' HIS . . . -71.04 134.56 85.41 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 562' ' ' PRO . . . . . 0.508 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.3 Cg_endo -74.96 150.15 94.99 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.055 -2.477 . . . . 0.0 111.001 -0.017 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 563' ' ' GLY . . . . . 0.508 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -46.65 -106.61 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.424 1.078 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 564' ' ' VAL . . . . . 0.475 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.1 t -136.83 158.12 36.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 0.761 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 565' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 566' ' ' MET . 0.4 OUTLIER -82.29 120.4 25.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 566' ' ' MET . . . . . 0.642 ' CG ' HD12 ' A' ' 549' ' ' ILE . 0.0 OUTLIER -37.57 141.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 111.025 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . 0.441 ' O ' ' O ' ' A' ' 576' ' ' LYS . 0.7 OUTLIER -104.53 119.44 38.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.307 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.79 148.58 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.474 ' HB1' ' CE2' ' A' ' 539' ' ' TYR . . . -89.29 -141.58 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -132.09 9.55 4.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 571' ' ' ILE . . . . . 0.443 ' O ' ' CB ' ' A' ' 572' ' ' SER . 72.4 mt -81.68 -82.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 572' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 571' ' ' ILE . 1.5 t 163.99 92.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.993 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 93.44 6.74 62.45 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.551 1.157 . . . . 0.0 110.985 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -103.84 160.37 14.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 0.784 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 575' ' ' ALA . . . . . 0.568 ' HB1' ' SD ' ' A' ' 566' ' ' MET . . . -120.81 156.42 31.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 576' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' A' ' 567' ' ' GLN . 2.3 ptmm? -152.42 154.59 35.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 577' ' ' ILE . . . . . 0.804 HD13 ' CE2' ' A' ' 551' ' ' TYR . 0.9 OUTLIER -143.42 152.02 16.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 578' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 5.5 m -129.33 127.68 41.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.426 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . 0.781 ' O ' HG22 ' A' ' 536' ' ' VAL . 2.7 t -130.38 135.38 60.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 580' ' ' ASP . . . . . 0.471 ' C ' HG23 ' A' ' 581' ' ' ILE . 25.3 t0 -79.15 150.74 31.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 581' ' ' ILE . . . . . 0.919 HD11 HG23 ' A' ' 610' ' ' THR . 40.2 pt -155.3 48.75 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -45.53 -57.24 5.94 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.45 28.66 5.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 0.0 110.027 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 584' ' ' ALA . . . . . 0.787 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -134.21 139.7 45.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 8.4 p -111.02 -4.16 15.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 110.001 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 586' ' ' GLN . . . . . 0.754 ' HB3' HD23 ' A' ' 607' ' ' LEU . 5.6 mt-30 -152.01 137.74 17.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.67 HD21 ' HB2' ' A' ' 551' ' ' TYR . 5.3 tt -135.03 127.78 31.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . 0.473 ' O ' ' HA ' ' A' ' 551' ' ' TYR . 5.4 pm0 -89.2 143.15 27.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.321 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 589' ' ' ALA . . . . . 0.528 ' CB ' ' HB3' ' A' ' 551' ' ' TYR . . . -141.73 138.0 32.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -121.67 158.64 28.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 591' ' ' PHE . . . . . 0.798 ' CZ ' ' CD2' ' A' ' 615' ' ' TYR . 65.8 m-85 -118.64 128.45 54.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -153.39 135.71 14.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.82 -19.98 65.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 95.77 6.83 59.22 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.447 1.092 . . . . 0.0 110.96 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -131.17 63.21 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 109.333 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 49.94 50.15 18.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -142.97 71.77 1.35 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -95.55 142.07 28.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 107.971 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 20.9 t0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.975 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 606' ' ' TYR . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 608' ' ' PHE . 75.2 m-85 -130.31 142.56 50.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . 0.754 HD23 ' HB3' ' A' ' 586' ' ' GLN . 6.6 mp -99.22 130.76 45.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 608' ' ' PHE . . . . . 0.753 ' HE1' HD13 ' A' ' 626' ' ' ILE . 6.8 m-85 -121.76 144.99 48.48 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 110.971 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 609' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 610' ' ' THR . 42.8 t -110.29 163.84 13.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.977 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 610' ' ' THR . . . . . 0.919 HG23 HD11 ' A' ' 581' ' ' ILE . 35.1 p -38.81 158.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.383 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 112.68 -156.18 15.77 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.541 1.151 . . . . 0.0 111.005 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 612' ' ' THR . . . . . 0.605 HG21 ' HB2' ' A' ' 630' ' ' ALA . 2.1 m -116.16 124.48 50.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 0.743 . . . . 0.0 110.382 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 613' ' ' SER . . . . . 0.472 ' OG ' HG13 ' A' ' 538' ' ' VAL . 81.5 p -132.21 157.35 44.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.989 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . 0.451 ' CG2' ' HG3' ' A' ' 631' ' ' PRO . 5.8 m -134.14 114.51 13.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.404 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 615' ' ' TYR . . . . . 0.798 ' CD2' ' CZ ' ' A' ' 591' ' ' PHE . 54.5 t80 -97.92 113.6 25.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 60.5 m -113.69 102.23 54.59 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 110.404 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.531 1.806 . . . . 0.0 110.998 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 42.1 p . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 626' ' ' ILE . . . . . 0.753 HD13 ' HE1' ' A' ' 608' ' ' PHE . 0.0 OUTLIER -121.33 136.63 57.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.05 122.79 38.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.165 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.18 148.88 37.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.419 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 107.58 141.58 9.97 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.481 1.113 . . . . 0.0 111.04 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.605 ' HB2' HG21 ' A' ' 612' ' ' THR . . . -59.6 118.15 28.9 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.451 0.736 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 631' ' ' PRO . . . . . 0.519 ' HG2' ' CD2' ' A' ' 539' ' ' TYR . 18.2 Cg_endo -75.03 155.69 42.8 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.502 1.79 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.969 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 534' ' ' ASN . . . . . 0.865 ' HB3' HG21 ' A' ' 610' ' ' THR . 1.1 t-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 535' ' ' LYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 579' ' ' VAL . 0.4 OUTLIER -146.05 158.92 43.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . 0.669 HG13 ' HA ' ' A' ' 610' ' ' THR . 0.5 OUTLIER -123.65 124.35 69.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 2.9 m -100.61 124.13 45.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.414 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 1.4 t -126.02 126.62 70.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.35 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 539' ' ' TYR . . . . . 0.666 ' HB3' HG23 ' A' ' 614' ' ' THR . 2.5 m-85 -110.55 128.94 55.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 540' ' ' TYR . . . . . 0.618 ' CE1' ' O ' ' A' ' 541' ' ' LYS . 3.0 t80 -119.54 138.98 52.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 541' ' ' LYS . . . . . 0.618 ' O ' ' CE1' ' A' ' 540' ' ' TYR . 9.6 tttp -93.77 132.02 38.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 542' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 543' ' ' GLY . 0.1 OUTLIER -80.62 137.66 36.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 543' ' ' GLY . . . . . 0.432 ' N ' ' HG3' ' A' ' 542' ' ' LYS . . . 154.42 -133.13 3.75 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 -0.003 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -152.02 -82.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 0.786 . . . . 0.0 111.042 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 545' ' ' ASN . . . . . 0.556 ' O ' ' CB ' ' A' ' 546' ' ' SER . 9.7 m-80 -147.82 24.63 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' A' ' 545' ' ' ASN . 1.2 m 90.13 72.16 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.992 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 149.52 36.55 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 548' ' ' TYR . . . . . 0.491 ' CE2' ' HB2' ' A' ' 565' ' ' LYS . 7.8 m-85 -91.6 156.93 17.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . 0.963 HG23 ' O ' ' A' ' 590' ' ' ALA . 3.7 mt -126.34 144.96 34.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 550' ' ' HIS . . . . . 0.435 ' CE1' ' HE3' ' A' ' 558' ' ' TRP . 2.9 t60 -129.33 116.36 18.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.593 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 551' ' ' TYR . . . . . 0.497 ' CD2' HG22 ' A' ' 549' ' ' ILE . 0.1 OUTLIER -125.73 159.19 32.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.959 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 552' ' ' ARG . . . . . 0.571 ' NE ' ' CD1' ' A' ' 558' ' ' TRP . 4.4 ttm180 -137.71 132.0 17.27 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 553' ' ' PRO . . . . . 0.568 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.2 Cg_endo -75.01 159.6 41.13 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.458 1.767 . . . . 0.0 110.96 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -45.22 -26.77 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 555' ' ' GLY . . . . . 0.418 ' N ' ' C ' ' A' ' 553' ' ' PRO . . . -60.28 -19.29 52.1 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.442 1.089 . . . . 0.0 111.039 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . 0.496 ' O ' ' NH2' ' A' ' 552' ' ' ARG . . . 82.13 40.87 9.86 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 557' ' ' SER . . . . . 0.568 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 0.0 OUTLIER -110.15 137.73 47.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 110.021 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 558' ' ' TRP . . . . . 0.571 ' CD1' ' NE ' ' A' ' 552' ' ' ARG . 92.5 m95 -120.37 102.54 8.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 108.026 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 559' ' ' THR . . . . . 0.502 HG22 ' N ' ' A' ' 560' ' ' ALA . 32.3 m -45.12 171.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 110.375 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 560' ' ' ALA . . . . . 0.502 ' N ' HG22 ' A' ' 559' ' ' THR . . . -61.24 107.63 0.79 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 561' ' ' ALA . . . . . 0.487 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -64.07 132.28 95.24 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 562' ' ' PRO . . . . . 0.56 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.4 Cg_endo -75.0 145.22 83.34 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 120.989 -2.505 . . . . 0.0 111.016 -0.049 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 563' ' ' GLY . . . . . 0.56 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -32.06 -99.88 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 564' ' ' VAL . . . . . 0.425 ' HB ' ' OH ' ' A' ' 551' ' ' TYR . 1.3 t -137.82 157.6 32.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 565' ' ' LYS . . . . . 0.491 ' HB2' ' CE2' ' A' ' 548' ' ' TYR . 0.1 OUTLIER -89.71 107.1 18.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 566' ' ' MET . . . . . 0.899 ' CE ' HD12 ' A' ' 549' ' ' ILE . 0.0 OUTLIER -33.12 137.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.81 127.05 52.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.78 149.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.65 ' HB2' ' HB3' ' A' ' 576' ' ' LYS . . . -87.39 -136.91 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -132.28 7.48 4.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 571' ' ' ILE . . . . . . . . . . . . . 4.6 mm -84.04 -85.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 169.37 97.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.978 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 88.82 8.18 70.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.89 159.65 15.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 575' ' ' ALA . . . . . 0.531 ' HB1' ' HB3' ' A' ' 566' ' ' MET . . . -115.47 152.72 32.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 576' ' ' LYS . . . . . 0.65 ' HB3' ' HB2' ' A' ' 569' ' ' ALA . 0.2 OUTLIER -152.67 133.97 14.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 577' ' ' ILE . . . . . 0.96 HD12 ' N ' ' A' ' 578' ' ' THR . 0.2 OUTLIER -134.17 152.22 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 578' ' ' THR . . . . . 0.96 ' N ' HD12 ' A' ' 577' ' ' ILE . 30.1 m -126.45 136.08 52.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.376 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . 0.745 HG23 ' CD1' ' A' ' 577' ' ' ILE . 42.1 t -132.13 128.19 58.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 580' ' ' ASP . . . . . 0.535 ' O ' HG23 ' A' ' 581' ' ' ILE . 0.2 OUTLIER -86.29 148.86 25.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 581' ' ' ILE . . . . . 0.893 ' HB ' ' HB3' ' A' ' 584' ' ' ALA . 44.2 pt -157.53 50.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -54.06 -22.57 21.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.542 1.151 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.37 36.87 4.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 0.775 . . . . 0.0 110.024 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 584' ' ' ALA . . . . . 0.893 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -160.25 142.29 12.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.04 0.41 15.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.994 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -147.63 138.67 23.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 110.314 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.577 ' CD1' HG11 ' A' ' 579' ' ' VAL . 0.5 OUTLIER -144.22 130.25 19.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . 0.468 ' HA ' ' O ' ' A' ' 606' ' ' TYR . 2.0 pm0 -89.93 145.05 25.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 589' ' ' ALA . . . . . 0.499 ' HB3' ' HE2' ' A' ' 608' ' ' PHE . . . -134.9 149.34 50.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.963 ' O ' HG23 ' A' ' 549' ' ' ILE . . . -137.28 157.45 46.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 591' ' ' PHE . . . . . 0.733 ' CD2' ' CZ ' ' A' ' 615' ' ' TYR . 1.3 m-85 -122.75 127.99 49.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -148.13 136.25 21.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -25.92 64.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 95.98 33.51 6.3 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.466 1.104 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 44.8 p-10 -149.93 40.3 0.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 109.34 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 39.4 t30 72.59 34.53 1.22 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -129.9 69.22 1.43 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 13.8 m95 -90.96 149.76 21.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 108.024 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 2.9 t70 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.297 179.97 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 2.7 m120 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 606' ' ' TYR . . . . . 0.61 ' C ' HD23 ' A' ' 607' ' ' LEU . 97.2 m-85 -107.21 163.82 12.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . 0.63 HD23 ' N ' ' A' ' 607' ' ' LEU . 0.0 OUTLIER -115.2 122.39 45.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 608' ' ' PHE . . . . . 0.679 ' CE1' ' CD1' ' A' ' 626' ' ' ILE . 9.0 m-85 -126.21 146.01 50.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 609' ' ' SER . . . . . 0.492 ' O ' HG13 ' A' ' 536' ' ' VAL . 32.2 t -111.76 166.2 11.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.044 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 610' ' ' THR . . . . . 0.865 HG21 ' HB3' ' A' ' 534' ' ' ASN . 40.8 p -50.34 166.01 0.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 110.433 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 115.88 -155.0 16.54 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.106 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 612' ' ' THR . . . . . 0.619 HG21 ' CA ' ' A' ' 630' ' ' ALA . 36.7 m -112.19 127.64 56.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 0.753 . . . . 0.0 110.384 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 1.4 t -142.52 157.77 44.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . 0.666 HG23 ' HB3' ' A' ' 539' ' ' TYR . 20.6 m -133.51 118.43 18.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.143 . . . . 0.0 110.407 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 615' ' ' TYR . . . . . 0.733 ' CZ ' ' CD2' ' A' ' 591' ' ' PHE . 0.1 OUTLIER -99.02 113.46 25.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.972 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 52.6 m -110.53 108.14 58.27 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.351 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 179.951 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 21.4 p . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 626' ' ' ILE . . . . . 0.679 ' CD1' ' CE1' ' A' ' 608' ' ' PHE . 0.2 OUTLIER -114.56 132.09 64.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.352 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -115.81 121.44 42.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.29 146.67 36.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 110.406 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 109.25 140.94 9.11 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.619 ' CA ' HG21 ' A' ' 612' ' ' THR . . . -59.66 120.31 48.15 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 631' ' ' PRO . . . . . 0.553 ' HG2' ' CD2' ' A' ' 539' ' ' TYR . 18.4 Cg_endo -75.04 154.77 42.52 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.521 1.801 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 23.6 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.011 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 535' ' ' LYS . . . . . 0.572 ' HD2' HG21 ' A' ' 578' ' ' THR . 15.3 mtmt -147.0 142.88 27.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 579' ' ' VAL . 2.2 t -116.29 131.05 69.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 80.0 m -101.24 122.02 42.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.396 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -125.47 124.39 66.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 539' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -112.88 124.53 52.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 111.052 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 540' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -121.56 139.7 53.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 3.0 tttm -92.73 112.89 25.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 542' ' ' LYS . . . . . 0.45 ' HA ' ' HA3' ' A' ' 543' ' ' GLY . 7.4 ttpt -86.01 143.38 28.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 543' ' ' GLY . . . . . 0.45 ' HA3' ' HA ' ' A' ' 542' ' ' LYS . . . 140.97 -125.66 2.88 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.521 1.138 . . . . 0.0 110.955 -0.104 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . 0.544 ' CD1' ' HG3' ' A' ' 547' ' ' PRO . 4.1 m-85 -116.36 -125.15 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.749 . . . . 0.0 111.035 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -106.72 -51.43 2.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . 0.427 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 41.2 m -171.32 63.6 0.38 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.023 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 547' ' ' PRO . . . . . 0.544 ' HG3' ' CD1' ' A' ' 544' ' ' PHE . 18.5 Cg_endo -74.97 146.42 32.76 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 548' ' ' TYR . . . . . 0.56 ' CE2' ' HG3' ' A' ' 565' ' ' LYS . 1.8 m-85 -95.98 161.1 14.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . 0.654 HD11 ' HB1' ' A' ' 589' ' ' ALA . 0.8 OUTLIER -124.28 142.68 40.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.26 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 550' ' ' HIS . . . . . 0.411 ' CE1' ' HE3' ' A' ' 558' ' ' TRP . 2.2 t60 -130.34 117.35 19.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.613 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 551' ' ' TYR . . . . . 0.804 ' HB2' HD21 ' A' ' 587' ' ' LEU . 0.1 OUTLIER -120.32 160.06 23.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 552' ' ' ARG . . . . . 0.574 ' HD3' ' CD1' ' A' ' 558' ' ' TRP . 1.2 ttp85 -133.49 135.33 24.98 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.324 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 553' ' ' PRO . . . . . 0.508 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.2 Cg_endo -74.98 153.16 41.7 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.484 1.781 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . 0.402 ' HB2' ' O ' ' A' ' 586' ' ' GLN . . . -48.38 -24.29 1.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.246 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -53.05 -20.02 8.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.465 1.103 . . . . 0.0 111.031 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 89.1 21.98 40.01 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 557' ' ' SER . . . . . 0.545 ' O ' ' CG ' ' A' ' 552' ' ' ARG . 0.1 OUTLIER -103.75 169.62 8.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 0.786 . . . . 0.0 110.006 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 558' ' ' TRP . . . . . 0.574 ' CD1' ' HD3' ' A' ' 552' ' ' ARG . 87.9 m95 -135.95 117.95 15.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 107.992 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 559' ' ' THR . . . . . 0.428 HG22 ' N ' ' A' ' 560' ' ' ALA . 84.8 m -59.37 169.96 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.419 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 560' ' ' ALA . . . . . 0.428 ' N ' HG22 ' A' ' 559' ' ' THR . . . -56.89 108.47 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 561' ' ' ALA . . . . . 0.483 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -78.18 132.59 66.32 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 562' ' ' PRO . . . . . 0.491 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.1 Cg_endo -75.06 145.23 83.29 Favored 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 120.989 -2.504 . . . . 0.0 110.969 0.085 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 563' ' ' GLY . . . . . 0.491 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -38.3 -99.23 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.52 1.138 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 564' ' ' VAL . . . . . 0.532 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 2.2 t -137.31 159.13 35.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 0.78 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 565' ' ' LYS . . . . . 0.56 ' HG3' ' CE2' ' A' ' 548' ' ' TYR . 0.0 OUTLIER -84.93 112.8 20.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 566' ' ' MET . . . . . 0.6 ' HG2' HG21 ' A' ' 549' ' ' ILE . 0.0 OUTLIER -35.43 133.3 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 111.04 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . 0.438 ' O ' ' O ' ' A' ' 576' ' ' LYS . 19.0 mt-30 -100.51 115.0 29.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 567' ' ' GLN . 0.3 OUTLIER -39.22 149.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -82.33 -146.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -124.15 3.18 8.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 571' ' ' ILE . . . . . 0.596 HG22 ' N ' ' A' ' 572' ' ' SER . 76.0 mt -82.65 -93.66 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 572' ' ' SER . . . . . 0.596 ' N ' HG22 ' A' ' 571' ' ' ILE . 5.8 t 177.9 94.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.011 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 96.03 9.73 56.87 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -103.98 158.51 16.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 575' ' ' ALA . . . . . . . . . . . . . . . -116.71 152.19 34.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 576' ' ' LYS . . . . . 0.438 ' O ' ' O ' ' A' ' 567' ' ' GLN . 0.0 OUTLIER -152.04 128.98 10.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 577' ' ' ILE . . . . . 0.944 HD11 HG23 ' A' ' 579' ' ' VAL . 0.2 OUTLIER -131.33 152.23 36.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 578' ' ' THR . . . . . 0.925 ' N ' HD12 ' A' ' 577' ' ' ILE . 65.6 m -115.8 141.75 47.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.37 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . 0.944 HG23 HD11 ' A' ' 577' ' ' ILE . 82.8 t -130.83 119.25 44.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.38 125.76 31.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 581' ' ' ILE . . . . . 1.014 HD11 HG23 ' A' ' 610' ' ' THR . 37.1 pt -137.36 49.18 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -55.0 -20.8 21.6 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.556 1.16 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.86 39.47 3.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 0.767 . . . . 0.0 110.038 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 584' ' ' ALA . . . . . 0.843 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -153.55 143.9 22.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 93.2 p -111.56 -3.53 15.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 110.036 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 586' ' ' GLN . . . . . 0.402 ' O ' ' HB2' ' A' ' 554' ' ' ALA . 86.5 mt-30 -151.33 138.49 19.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.881 HD22 HG11 ' A' ' 579' ' ' VAL . 5.8 tt -146.83 126.57 13.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . 0.511 ' HA ' ' O ' ' A' ' 606' ' ' TYR . 1.5 pm0 -91.42 144.18 25.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 110.28 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 589' ' ' ALA . . . . . 0.654 ' HB1' HD11 ' A' ' 549' ' ' ILE . . . -133.55 134.76 43.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -119.53 164.0 16.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 591' ' ' PHE . . . . . 0.816 ' CE1' ' CD2' ' A' ' 615' ' ' TYR . 35.0 m-85 -122.4 127.3 49.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 592' ' ' ASN . . . . . 0.408 ' HA ' ' O ' ' A' ' 597' ' ' ASN . 8.9 p30 -141.75 136.37 30.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.249 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -54.14 -43.3 70.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 594' ' ' GLY . . . . . 0.48 ' O ' ' CB ' ' A' ' 595' ' ' ASN . . . 170.79 39.56 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 595' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 594' ' ' GLY . 12.8 t-20 80.48 84.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 0.753 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 596' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' A' ' 595' ' ' ASN . 1.2 m-20 160.38 -27.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 597' ' ' ASN . . . . . 0.408 ' O ' ' HA ' ' A' ' 592' ' ' ASN . 1.2 t-20 -138.95 90.25 2.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 26.1 m95 -97.15 142.7 28.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.122 . . . . 0.0 108.003 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 3.3 t0 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.353 179.968 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 606' ' ' TYR . . . . . 0.601 ' CB ' ' CZ ' ' A' ' 608' ' ' PHE . 42.7 m-85 -110.07 163.13 13.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . 0.845 HD13 ' N ' ' A' ' 607' ' ' LEU . 0.0 OUTLIER -119.2 121.45 39.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 608' ' ' PHE . . . . . 0.601 ' CZ ' ' CB ' ' A' ' 606' ' ' TYR . 11.8 m-85 -127.28 143.47 51.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 9.9 t -112.15 169.35 8.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.962 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 610' ' ' THR . . . . . 1.014 HG23 HD11 ' A' ' 581' ' ' ILE . 44.9 p -42.57 164.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.423 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 110.78 -145.86 17.47 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 612' ' ' THR . . . . . 0.434 HG21 ' CA ' ' A' ' 630' ' ' ALA . 25.3 m -121.3 134.58 55.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 0.756 . . . . 0.0 110.408 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 10.0 m -142.23 157.54 44.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.016 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . 0.475 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 7.2 m -132.99 115.01 14.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.399 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 615' ' ' TYR . . . . . 0.816 ' CD2' ' CE1' ' A' ' 591' ' ' PHE . 90.0 t80 -97.36 114.01 25.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.528 1.143 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 85.8 m -120.13 99.5 48.56 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.332 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.192 0 O-C-N 124.485 1.782 . . . . 0.0 110.983 179.935 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 14.7 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.431 -0.211 . . . . 0.0 110.431 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 626' ' ' ILE . . . . . 0.58 HG23 ' HA ' ' A' ' 615' ' ' TYR . 0.1 OUTLIER -117.98 135.84 57.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.26 122.84 40.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.08 147.22 38.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.378 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 109.3 140.82 9.05 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.434 ' CA ' HG21 ' A' ' 612' ' ' THR . . . -59.71 118.69 33.99 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.46 0.741 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 172.91 15.45 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.505 1.792 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.922 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 534' ' ' ASN . . . . . 0.458 ' O ' ' HA ' ' A' ' 580' ' ' ASP . 1.1 t-20 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 535' ' ' LYS . . . . . 0.555 ' HB3' HG22 ' A' ' 578' ' ' THR . 10.8 mtmm -144.94 152.64 40.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 579' ' ' VAL . 34.1 m -119.55 115.03 46.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 90.0 m -100.82 121.22 41.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.382 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 538' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 576' ' ' LYS . 3.8 t -127.5 135.56 62.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 539' ' ' TYR . . . . . 0.543 ' CE1' ' HB2' ' A' ' 576' ' ' LYS . 4.2 m-85 -109.63 134.22 52.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 540' ' ' TYR . . . . . 0.581 ' CD1' ' CE2' ' A' ' 615' ' ' TYR . 1.8 t80 -118.58 139.24 51.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.412 1.07 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 541' ' ' LYS . . . . . 0.471 ' O ' ' CE1' ' A' ' 540' ' ' TYR . 0.1 OUTLIER -93.32 113.92 26.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 542' ' ' LYS . . . . . 0.501 ' HA ' ' HA3' ' A' ' 543' ' ' GLY . 6.7 ttpt -93.93 142.01 27.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.351 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 543' ' ' GLY . . . . . 0.501 ' HA3' ' HA ' ' A' ' 542' ' ' LYS . . . 143.38 -131.33 4.47 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.538 1.148 . . . . 0.0 110.959 -0.024 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . 0.518 ' CD1' ' N ' ' A' ' 544' ' ' PHE . 3.6 m-85 -118.03 -137.4 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.765 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 545' ' ' ASN . . . . . 0.452 ' H ' ' ND2' ' A' ' 545' ' ' ASN . 1.0 OUTLIER -103.98 -49.04 3.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 41.3 m -139.55 68.45 38.13 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.988 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 141.67 26.87 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.482 1.78 . . . . 0.0 110.979 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 548' ' ' TYR . . . . . 0.519 ' CZ ' ' HB2' ' A' ' 565' ' ' LYS . 1.4 m-85 -124.72 150.57 46.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 110.959 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . 0.939 HG23 ' O ' ' A' ' 590' ' ' ALA . 3.6 mt -126.3 144.72 35.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 550' ' ' HIS . . . . . 0.418 ' CE1' ' O ' ' A' ' 559' ' ' THR . 1.5 t60 -124.9 115.19 20.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.583 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 551' ' ' TYR . . . . . 0.567 ' HB2' HD21 ' A' ' 587' ' ' LEU . 0.1 OUTLIER -125.84 158.42 35.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 552' ' ' ARG . . . . . 0.536 ' CG ' ' O ' ' A' ' 557' ' ' SER . 0.0 OUTLIER -135.72 133.48 20.12 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.343 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 553' ' ' PRO . . . . . 0.544 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.2 Cg_endo -75.02 155.79 42.84 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.51 1.795 . . . . 0.0 110.972 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . 0.502 ' HB3' ' CB ' ' A' ' 584' ' ' ALA . . . -40.31 -30.05 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 555' ' ' GLY . . . . . 0.438 ' N ' ' C ' ' A' ' 553' ' ' PRO . . . -52.41 -23.0 11.85 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.496 1.122 . . . . 0.0 111.039 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 86.11 27.82 29.98 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 557' ' ' SER . . . . . 0.544 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 0.3 OUTLIER -100.63 140.2 35.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 0.728 . . . . 0.0 109.975 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 558' ' ' TRP . . . . . 0.535 ' CD2' ' HB2' ' A' ' 552' ' ' ARG . 90.6 m95 -122.4 97.46 5.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 108.001 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 559' ' ' THR . . . . . 0.487 ' CG2' ' N ' ' A' ' 560' ' ' ALA . 1.4 m -46.01 169.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.424 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 560' ' ' ALA . . . . . 0.487 ' N ' ' CG2' ' A' ' 559' ' ' THR . . . -55.33 109.68 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 561' ' ' ALA . . . . . 0.478 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -68.27 132.47 91.62 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 562' ' ' PRO . . . . . 0.498 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.3 Cg_endo -75.02 143.66 78.49 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 121.023 -2.49 . . . . 0.0 110.983 0.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 563' ' ' GLY . . . . . 0.498 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -35.11 -98.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.477 1.111 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 2.1 t -137.11 158.55 36.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 565' ' ' LYS . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 548' ' ' TYR . 1.2 ttpp -89.11 110.42 21.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 566' ' ' MET . . . . . 0.67 ' SD ' HG23 ' A' ' 577' ' ' ILE . 0.0 OUTLIER -36.25 141.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.98 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . 0.448 ' H ' HG22 ' A' ' 577' ' ' ILE . 1.6 mm-40 -105.79 133.84 49.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.29 150.01 0.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.803 ' HB2' ' HB3' ' A' ' 576' ' ' LYS . . . -94.89 -142.87 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.242 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -125.91 10.45 7.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 571' ' ' ILE . . . . . 0.428 ' O ' ' CB ' ' A' ' 572' ' ' SER . 17.4 mm -83.18 -83.4 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 572' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' A' ' 571' ' ' ILE . 0.6 OUTLIER 165.15 95.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 89.0 7.97 69.69 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -107.2 161.02 15.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 110.989 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 575' ' ' ALA . . . . . 0.613 ' HB1' ' HB3' ' A' ' 566' ' ' MET . . . -115.72 154.99 28.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 576' ' ' LYS . . . . . 0.803 ' HB3' ' HB2' ' A' ' 569' ' ' ALA . 0.0 OUTLIER -154.2 138.42 16.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 577' ' ' ILE . . . . . 0.67 HG23 ' SD ' ' A' ' 566' ' ' MET . 0.8 OUTLIER -134.71 152.08 32.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 578' ' ' THR . . . . . 0.555 HG22 ' HB3' ' A' ' 535' ' ' LYS . 4.9 m -128.89 129.13 45.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.421 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . 0.55 ' O ' HG22 ' A' ' 536' ' ' VAL . 2.2 t -127.61 130.86 70.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 580' ' ' ASP . . . . . 0.458 ' HA ' ' O ' ' A' ' 534' ' ' ASN . 21.7 t70 -78.72 149.38 32.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 581' ' ' ILE . . . . . 0.924 HD11 HG23 ' A' ' 610' ' ' THR . 40.3 pt -151.48 48.68 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -50.85 -29.81 20.38 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.89 36.69 4.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 0.737 . . . . 0.0 110.048 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 584' ' ' ALA . . . . . 0.838 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -151.96 139.46 19.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 51.2 m -116.67 6.25 13.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.011 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 586' ' ' GLN . . . . . 0.611 ' HB3' HD11 ' A' ' 607' ' ' LEU . 72.4 mt-30 -149.79 139.08 21.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 110.319 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.567 HD21 ' HB2' ' A' ' 551' ' ' TYR . 5.9 tt -141.36 128.0 20.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . 0.481 ' CG ' ' HB2' ' A' ' 605' ' ' ASN . 1.5 tt0 -89.68 146.67 24.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 589' ' ' ALA . . . . . . . . . . . . . . . -138.98 146.89 41.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.939 ' O ' HG23 ' A' ' 549' ' ' ILE . . . -137.81 153.81 49.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 591' ' ' PHE . . . . . 0.804 ' CE2' ' CD1' ' A' ' 615' ' ' TYR . 1.6 m-85 -115.94 127.56 55.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 592' ' ' ASN . . . . . 0.558 ' HB3' ' CE3' ' A' ' 598' ' ' TRP . 2.5 p30 -149.05 136.34 20.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -56.91 -53.87 53.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 594' ' ' GLY . . . . . 0.509 ' O ' ' CB ' ' A' ' 595' ' ' ASN . . . 178.37 38.38 0.06 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 595' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' A' ' 594' ' ' GLY . 8.8 t-20 82.42 86.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 596' ' ' ASN . . . . . 0.481 ' CB ' ' O ' ' A' ' 595' ' ' ASN . 2.8 m-20 157.44 -25.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -140.18 86.79 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.268 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 598' ' ' TRP . . . . . 0.558 ' CE3' ' HB3' ' A' ' 592' ' ' ASN . 39.2 m95 -96.85 124.17 40.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 108.036 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 605' ' ' ASN . . . . . 0.481 ' HB2' ' CG ' ' A' ' 588' ' ' GLU . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 606' ' ' TYR . . . . . 0.543 ' CB ' HD11 ' A' ' 626' ' ' ILE . 28.5 m-85 -129.87 130.48 45.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . 0.611 HD11 ' HB3' ' A' ' 586' ' ' GLN . 5.8 tt -114.17 132.98 55.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 608' ' ' PHE . . . . . 0.577 ' CZ ' ' HB ' ' A' ' 626' ' ' ILE . 25.9 m-85 -144.5 159.39 42.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 111.039 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 609' ' ' SER . . . . . 0.423 ' O ' ' O ' ' A' ' 610' ' ' THR . 19.3 t -110.68 174.22 5.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.026 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 610' ' ' THR . . . . . 0.924 HG23 HD11 ' A' ' 581' ' ' ILE . 24.2 p -37.39 156.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.386 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 122.03 -162.92 15.62 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.537 1.148 . . . . 0.0 111.031 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 612' ' ' THR . . . . . . . . . . . . . 2.1 m -111.2 125.93 54.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 0.724 . . . . 0.0 110.379 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.74 156.41 48.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.971 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . 0.505 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 5.7 m -134.9 118.28 16.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.405 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 615' ' ' TYR . . . . . 0.804 ' CD1' ' CE2' ' A' ' 591' ' ' PHE . 0.0 OUTLIER -96.32 120.01 35.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.972 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 59.6 m -120.89 112.92 33.29 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.398 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.128 0 O-C-N 124.56 1.821 . . . . 0.0 110.98 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 33.5 p . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 626' ' ' ILE . . . . . 0.665 HG23 ' CA ' ' A' ' 615' ' ' TYR . 0.8 OUTLIER -120.62 128.51 76.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.49 131.32 55.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.26 147.31 38.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.389 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 112.51 140.61 7.95 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.491 1.119 . . . . 0.0 111.038 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -59.85 123.36 71.45 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.517 0.775 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 163.79 34.68 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.497 1.788 . . . . 0.0 111.025 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 33.3 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.005 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 534' ' ' ASN . . . . . 0.544 ' CB ' HG21 ' A' ' 610' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -142.48 141.72 32.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . 0.894 HG12 ' HA ' ' A' ' 610' ' ' THR . 25.8 m -114.73 114.8 47.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 577' ' ' ILE . 24.3 m -100.68 124.23 45.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.379 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 21.6 t -125.54 140.92 46.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 539' ' ' TYR . . . . . 0.448 ' CE2' ' CB ' ' A' ' 569' ' ' ALA . 4.4 m-85 -111.87 134.17 53.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 540' ' ' TYR . . . . . 0.726 ' HB3' ' HB3' ' A' ' 575' ' ' ALA . 29.5 t80 -118.25 138.86 52.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -90.69 127.39 36.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.25 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 542' ' ' LYS . . . . . 0.446 ' HA ' ' HA3' ' A' ' 543' ' ' GLY . 0.2 OUTLIER -80.18 136.51 36.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.355 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 543' ' ' GLY . . . . . 0.446 ' HA3' ' HA ' ' A' ' 542' ' ' LYS . . . 157.42 -154.41 25.51 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 0.046 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -124.23 -76.56 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 0.0 110.984 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -156.66 -48.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . 0.448 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 34.8 p -174.4 62.58 0.25 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.992 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 547' ' ' PRO . . . . . 0.448 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.2 Cg_endo -75.0 148.37 35.18 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.528 1.804 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 548' ' ' TYR . . . . . 0.404 ' CZ ' ' HB2' ' A' ' 565' ' ' LYS . 6.8 m-85 -105.17 160.79 14.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . 0.602 HG21 ' HG2' ' A' ' 566' ' ' MET . 0.2 OUTLIER -130.26 143.5 40.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 550' ' ' HIS . . . . . 0.409 ' N ' HG13 ' A' ' 549' ' ' ILE . 0.7 OUTLIER -127.43 117.78 22.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.586 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 551' ' ' TYR . . . . . 0.59 ' CE2' HG12 ' A' ' 549' ' ' ILE . 0.2 OUTLIER -127.9 159.93 33.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 111.032 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 552' ' ' ARG . . . . . 0.578 ' HD3' ' CD1' ' A' ' 558' ' ' TRP . 0.3 OUTLIER -143.88 151.54 53.16 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.339 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 553' ' ' PRO . . . . . 0.511 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.2 Cg_endo -75.01 155.97 42.92 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.472 1.775 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . 0.475 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -33.65 -73.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -126.12 85.98 0.35 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -146.43 -90.95 0.1 Allowed Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 557' ' ' SER . . . . . 0.511 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 30.2 t -167.19 -179.17 4.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 0.783 . . . . 0.0 109.997 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 558' ' ' TRP . . . . . 0.578 ' CD1' ' HD3' ' A' ' 552' ' ' ARG . 62.9 m95 -108.55 117.37 33.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 108.06 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 559' ' ' THR . . . . . 0.46 HG22 ' H ' ' A' ' 560' ' ' ALA . 6.3 m -47.15 174.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.42 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 560' ' ' ALA . . . . . 0.46 ' H ' HG22 ' A' ' 559' ' ' THR . . . -72.22 107.66 4.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 561' ' ' ALA . . . . . 0.508 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -69.37 134.38 88.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 562' ' ' PRO . . . . . 0.552 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.2 Cg_endo -75.02 147.52 89.46 Favored 'Cis proline' 0 C--N 1.361 1.219 0 C-N-CA 120.978 -2.509 . . . . 0.0 110.96 0.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 563' ' ' GLY . . . . . 0.552 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -39.9 -103.25 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 564' ' ' VAL . . . . . 0.511 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.9 t -137.04 158.67 36.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.449 0.735 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 565' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 566' ' ' MET . 0.0 OUTLIER -89.43 109.74 20.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 566' ' ' MET . . . . . 0.602 ' HG2' HG21 ' A' ' 549' ' ' ILE . 0.0 OUTLIER -35.11 131.06 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -102.59 127.98 49.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.307 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.43 149.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.654 ' HB2' ' HB3' ' A' ' 576' ' ' LYS . . . -88.05 -143.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -124.96 8.72 8.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.344 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 571' ' ' ILE . . . . . 0.419 HG22 ' N ' ' A' ' 572' ' ' SER . 10.7 mm -84.5 -94.18 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 572' ' ' SER . . . . . 0.419 ' N ' HG22 ' A' ' 571' ' ' ILE . 0.1 OUTLIER 175.78 94.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 110.016 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 94.21 6.81 61.28 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -104.41 160.66 14.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 111.017 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 575' ' ' ALA . . . . . 0.726 ' HB3' ' HB3' ' A' ' 540' ' ' TYR . . . -115.79 155.5 27.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 576' ' ' LYS . . . . . 0.654 ' HB3' ' HB2' ' A' ' 569' ' ' ALA . 0.0 OUTLIER -151.94 138.95 19.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 0.0 109.366 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 577' ' ' ILE . . . . . 0.951 HD12 ' N ' ' A' ' 578' ' ' THR . 0.2 OUTLIER -141.89 151.64 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 578' ' ' THR . . . . . 0.951 ' N ' HD12 ' A' ' 577' ' ' ILE . 29.4 m -128.43 135.85 50.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 110.41 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . 0.812 ' O ' HG22 ' A' ' 536' ' ' VAL . 54.2 t -132.06 119.67 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 580' ' ' ASP . . . . . 0.442 ' HA ' ' O ' ' A' ' 534' ' ' ASN . 0.0 OUTLIER -82.1 125.48 30.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 581' ' ' ILE . . . . . 0.837 ' HB ' ' HB3' ' A' ' 584' ' ' ALA . 6.8 pt -99.5 -56.47 5.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 582' ' ' GLY . . . . . 0.534 ' O ' ' CB ' ' A' ' 583' ' ' SER . . . 58.1 98.18 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.484 1.115 . . . . 0.0 110.963 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 583' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 582' ' ' GLY . 1.2 t 87.7 23.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 0.73 . . . . 0.0 110.014 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 584' ' ' ALA . . . . . 0.837 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -135.75 143.34 45.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 89.8 p -114.79 1.09 14.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.988 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 586' ' ' GLN . . . . . 0.602 ' NE2' HD23 ' A' ' 607' ' ' LEU . 88.4 mt-30 -151.27 138.43 19.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 110.271 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.682 HD11 HG11 ' A' ' 579' ' ' VAL . 0.3 OUTLIER -144.0 133.78 23.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . 0.43 ' HA ' ' O ' ' A' ' 606' ' ' TYR . 1.9 pm0 -92.65 142.09 27.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 589' ' ' ALA . . . . . 0.486 ' HB1' HD11 ' A' ' 549' ' ' ILE . . . -139.05 135.24 34.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -121.25 158.03 28.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 0.0 109.345 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 591' ' ' PHE . . . . . 0.765 ' CZ ' ' CG ' ' A' ' 615' ' ' TYR . 40.0 m-85 -125.58 127.75 46.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 592' ' ' ASN . . . . . 0.514 ' HB3' ' CD2' ' A' ' 598' ' ' TRP . 9.0 p30 -151.02 143.9 24.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . 0.432 ' HA ' ' HA ' ' A' ' 547' ' ' PRO . 1.0 OUTLIER -72.6 -16.35 61.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.358 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 94.25 26.53 13.81 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 595' ' ' ASN . . . . . 0.441 ' C ' ' N ' ' A' ' 597' ' ' ASN . 0.7 OUTLIER -154.4 77.96 1.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 0.777 . . . . 0.0 109.251 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 41.92 28.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 597' ' ' ASN . . . . . 0.441 ' N ' ' C ' ' A' ' 595' ' ' ASN . 7.6 m-20 -122.79 76.25 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 598' ' ' TRP . . . . . 0.514 ' CD2' ' HB3' ' A' ' 592' ' ' ASN . 34.5 m95 -104.05 153.38 20.94 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 606' ' ' TYR . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 608' ' ' PHE . 85.2 m-85 -112.96 162.5 15.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . 0.602 HD23 ' NE2' ' A' ' 586' ' ' GLN . 1.9 mp -114.48 122.64 47.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 608' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 606' ' ' TYR . 14.0 m-85 -127.64 148.8 50.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 2.3 t -111.37 167.61 10.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.961 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 610' ' ' THR . . . . . 0.894 ' HA ' HG12 ' A' ' 536' ' ' VAL . 45.0 p -54.04 173.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 110.425 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 102.28 -142.48 15.61 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 612' ' ' THR . . . . . 0.647 HG21 ' CA ' ' A' ' 630' ' ' ALA . 55.5 m -114.3 131.75 56.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 110.35 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -142.94 157.44 44.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.979 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . 0.537 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 10.8 m -133.92 131.96 39.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.373 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 615' ' ' TYR . . . . . 0.765 ' CG ' ' CZ ' ' A' ' 591' ' ' PHE . 4.2 t80 -115.83 119.73 36.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 110.953 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 30.3 m -112.61 112.12 51.39 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.429 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . 0.569 ' HG3' ' CE2' ' A' ' 540' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.181 0 O-C-N 124.509 1.794 . . . . 0.0 110.982 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 10.3 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 626' ' ' ILE . . . . . 0.537 ' HA ' ' O ' ' A' ' 614' ' ' THR . 0.2 OUTLIER -120.43 125.1 73.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -107.55 122.4 46.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.23 151.01 36.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 110.387 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 102.85 141.78 11.75 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.573 1.171 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.647 ' CA ' HG21 ' A' ' 612' ' ' THR . . . -59.45 118.56 31.98 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.452 0.736 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 631' ' ' PRO . . . . . 0.43 ' HG3' ' CG2' ' A' ' 614' ' ' THR . 18.2 Cg_endo -75.08 153.53 41.46 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.48 1.779 . . . . 0.0 111.001 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.045 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 534' ' ' ASN . . . . . 0.499 ' C ' ' CD ' ' A' ' 535' ' ' LYS . 2.1 m-20 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 535' ' ' LYS . . . . . 0.499 ' CD ' ' C ' ' A' ' 534' ' ' ASN . 0.1 OUTLIER -148.73 149.51 31.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . 0.745 HG12 ' HA ' ' A' ' 610' ' ' THR . 8.0 m -116.02 112.98 41.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 55.4 m -100.37 124.4 45.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.42 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 538' ' ' VAL . . . . . 0.736 HG13 ' HB3' ' A' ' 613' ' ' SER . 2.8 t -127.35 134.09 66.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 539' ' ' TYR . . . . . 0.41 ' CD2' ' HG2' ' A' ' 631' ' ' PRO . 2.8 m-85 -109.33 117.28 33.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 111.034 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 540' ' ' TYR . . . . . 0.597 ' CD2' ' CE1' ' A' ' 591' ' ' PHE . 22.0 t80 -109.39 138.76 45.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -89.25 123.01 33.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 542' ' ' LYS . . . . . 0.543 ' CG ' ' HA3' ' A' ' 543' ' ' GLY . 6.9 ttmt -87.88 138.55 31.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.333 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 543' ' ' GLY . . . . . 0.543 ' HA3' ' CG ' ' A' ' 542' ' ' LYS . . . 150.19 -122.52 1.42 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 -0.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -131.52 -87.31 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 0.719 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 545' ' ' ASN . . . . . 0.485 ' O ' ' CB ' ' A' ' 546' ' ' SER . 0.5 OUTLIER -148.92 27.56 0.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 545' ' ' ASN . 0.7 OUTLIER 85.5 69.08 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 173.72 14.03 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.482 1.78 . . . . 0.0 111.018 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -108.03 143.24 37.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . 0.897 HG23 ' O ' ' A' ' 590' ' ' ALA . 4.1 mt -116.65 144.31 24.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 550' ' ' HIS . . . . . 0.403 ' CD2' ' HB2' ' A' ' 561' ' ' ALA . 1.1 t60 -130.0 117.09 19.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.626 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 551' ' ' TYR . . . . . 0.644 ' HB2' HD21 ' A' ' 587' ' ' LEU . 0.3 OUTLIER -126.58 160.57 30.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 111.019 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 552' ' ' ARG . . . . . 0.722 ' O ' HD22 ' A' ' 587' ' ' LEU . 0.2 OUTLIER -141.65 152.06 61.97 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 553' ' ' PRO . . . . . 0.515 ' O ' ' C ' ' A' ' 554' ' ' ALA . 18.3 Cg_endo -75.01 152.45 40.7 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.448 1.762 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -30.31 -72.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -126.19 86.65 0.35 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -147.65 -91.55 0.1 Allowed Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 557' ' ' SER . . . . . 0.514 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 40.0 t -168.63 179.83 4.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 0.792 . . . . 0.0 110.017 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 558' ' ' TRP . . . . . 0.525 ' CD1' ' HD3' ' A' ' 552' ' ' ARG . 53.3 m95 -105.67 112.94 26.22 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 559' ' ' THR . . . . . 0.475 HG22 ' H ' ' A' ' 560' ' ' ALA . 88.9 m -46.34 173.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.393 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 560' ' ' ALA . . . . . 0.475 ' H ' HG22 ' A' ' 559' ' ' THR . . . -65.27 107.8 1.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 561' ' ' ALA . . . . . 0.511 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -71.7 133.9 84.27 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.301 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 562' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 561' ' ' ALA . 18.3 Cg_endo -75.0 147.0 88.2 Favored 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 121.04 -2.483 . . . . 0.0 111.015 0.006 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 563' ' ' GLY . . . . . 0.484 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -40.63 -99.27 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 564' ' ' VAL . . . . . 0.518 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.5 t -136.54 157.83 37.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.531 0.783 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 565' ' ' LYS . . . . . 0.495 ' O ' ' C ' ' A' ' 566' ' ' MET . 0.0 OUTLIER -86.05 119.84 26.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.576 1.172 . . . . 0.0 109.318 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 566' ' ' MET . . . . . 0.714 ' HE2' ' CG2' ' A' ' 577' ' ' ILE . 0.3 OUTLIER -29.02 118.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 111.031 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 576' ' ' LYS . 0.1 OUTLIER -86.6 106.57 17.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 567' ' ' GLN . 0.1 OUTLIER -39.76 143.6 0.23 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.651 ' HB2' ' HB3' ' A' ' 576' ' ' LYS . . . -90.4 -151.18 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.78 2.6 11.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 571' ' ' ILE . . . . . 0.546 ' O ' ' CB ' ' A' ' 572' ' ' SER . 9.0 mt -78.75 -23.68 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 572' ' ' SER . . . . . 0.546 ' CB ' ' O ' ' A' ' 571' ' ' ILE . 1.8 t 88.46 108.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.001 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 90.61 -1.37 78.72 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -108.88 161.28 15.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 0.786 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 575' ' ' ALA . . . . . 0.652 ' HB1' ' HB3' ' A' ' 566' ' ' MET . . . -115.02 156.21 25.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 576' ' ' LYS . . . . . 0.651 ' HB3' ' HB2' ' A' ' 569' ' ' ALA . 0.4 OUTLIER -153.91 132.85 12.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 577' ' ' ILE . . . . . 1.041 ' O ' HD13 ' A' ' 577' ' ' ILE . 0.0 OUTLIER -130.42 146.82 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.342 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 578' ' ' THR . . . . . 0.498 HG22 ' HB3' ' A' ' 535' ' ' LYS . 5.3 m -127.12 132.99 50.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 110.431 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . 0.693 ' O ' HG22 ' A' ' 536' ' ' VAL . 44.1 t -129.82 130.83 66.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.247 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 580' ' ' ASP . . . . . 0.433 ' C ' HG23 ' A' ' 581' ' ' ILE . 3.2 t70 -79.75 150.23 30.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 581' ' ' ILE . . . . . 0.793 ' HB ' ' HB3' ' A' ' 584' ' ' ALA . 38.9 pt -152.88 48.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -53.34 -24.92 24.78 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.134 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -128.12 44.28 2.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.764 . . . . 0.0 110.009 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 584' ' ' ALA . . . . . 0.793 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -159.66 141.8 13.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.85 -5.14 17.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.996 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -143.06 138.54 30.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.309 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.847 HD13 ' C ' ' A' ' 587' ' ' LEU . 0.3 OUTLIER -128.97 143.68 50.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . 0.637 ' N ' HD13 ' A' ' 587' ' ' LEU . 1.7 pm0 -116.77 143.45 45.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 589' ' ' ALA . . . . . 0.52 ' HB2' ' HB3' ' A' ' 551' ' ' TYR . . . -139.57 150.38 44.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.138 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.897 ' O ' HG23 ' A' ' 549' ' ' ILE . . . -132.38 161.94 32.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 0.0 109.285 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 591' ' ' PHE . . . . . 0.597 ' CE1' ' CD2' ' A' ' 540' ' ' TYR . 86.5 m-85 -115.44 140.66 48.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 110.963 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 592' ' ' ASN . . . . . 0.419 ' HB3' ' CD2' ' A' ' 598' ' ' TRP . 11.5 p30 -159.14 135.21 8.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -81.94 -13.74 57.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 92.92 16.72 46.88 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -134.56 64.22 1.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 44.24 29.07 0.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -119.76 85.54 2.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 598' ' ' TRP . . . . . 0.419 ' CD2' ' HB3' ' A' ' 592' ' ' ASN . 58.4 m95 -101.31 136.65 40.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 107.989 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 605' ' ' ASN . . . . . 0.455 ' OD1' ' N ' ' A' ' 606' ' ' TYR . 11.1 p30 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 606' ' ' TYR . . . . . 0.655 ' CB ' ' CZ ' ' A' ' 608' ' ' PHE . 96.7 m-85 -129.63 161.76 29.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 111.038 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -114.5 121.06 42.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 608' ' ' PHE . . . . . 0.724 ' HE1' HD13 ' A' ' 626' ' ' ILE . 11.2 m-85 -129.74 150.46 51.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 8.5 t -111.21 166.9 10.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.014 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 610' ' ' THR . . . . . 0.745 ' HA ' HG12 ' A' ' 536' ' ' VAL . 68.5 p -47.57 170.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.374 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 105.65 -157.76 16.08 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 612' ' ' THR . . . . . 0.529 HG21 ' HA ' ' A' ' 630' ' ' ALA . 1.3 m -103.15 132.77 49.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.562 0.801 . . . . 0.0 110.424 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 613' ' ' SER . . . . . 0.736 ' HB3' HG13 ' A' ' 538' ' ' VAL . 0.1 OUTLIER -132.94 158.0 43.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . 0.51 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 2.6 m -133.22 114.74 14.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 110.41 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 615' ' ' TYR . . . . . 0.639 ' CE1' ' CG1' ' A' ' 626' ' ' ILE . 0.1 OUTLIER -96.01 114.75 26.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 0.0 111.024 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 3.7 m -103.56 114.23 64.97 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.415 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . 0.544 ' HG3' ' CZ ' ' A' ' 540' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.181 0 O-C-N 124.468 1.772 . . . . 0.0 110.985 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 626' ' ' ILE . . . . . 0.741 ' H ' HD12 ' A' ' 626' ' ' ILE . 0.1 OUTLIER -118.1 125.42 74.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.73 128.57 55.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.265 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.78 146.51 39.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.397 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 118.48 141.99 6.83 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.529 ' HA ' HG21 ' A' ' 612' ' ' THR . . . -59.48 135.11 88.86 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.464 0.744 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 631' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 630' ' ' ALA . 18.2 Cg_endo -75.06 179.17 6.36 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.516 1.798 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 534' ' ' ASN . . . . . 0.881 ' HB3' HG21 ' A' ' 610' ' ' THR . 2.1 m-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 535' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 579' ' ' VAL . 8.8 mttp -146.9 150.35 35.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . 0.723 HG13 ' HA ' ' A' ' 610' ' ' THR . 0.2 OUTLIER -115.34 121.51 67.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 14.8 m -105.64 122.3 45.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.409 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 538' ' ' VAL . . . . . 0.419 ' HB ' HD12 ' A' ' 577' ' ' ILE . 2.5 t -123.28 130.43 74.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 539' ' ' TYR . . . . . 0.464 ' CB ' ' HG3' ' A' ' 631' ' ' PRO . 2.1 m-85 -106.79 119.78 40.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 540' ' ' TYR . . . . . 0.58 ' CE2' ' HG3' ' A' ' 617' ' ' PRO . 42.4 t80 -109.41 138.91 45.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -92.01 119.08 31.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.17 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 542' ' ' LYS . . . . . 0.579 ' CG ' ' HA3' ' A' ' 543' ' ' GLY . 18.2 ttmt -82.26 137.77 34.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 543' ' ' GLY . . . . . 0.579 ' HA3' ' CG ' ' A' ' 542' ' ' LYS . . . 149.23 -123.93 1.71 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.539 1.149 . . . . 0.0 111.05 0.004 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -138.7 -87.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.743 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 545' ' ' ASN . . . . . 0.505 ' O ' ' CB ' ' A' ' 546' ' ' SER . 64.6 m-80 -144.54 26.31 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 545' ' ' ASN . 1.4 m 86.3 70.08 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.983 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 142.27 27.6 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.53 1.805 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -77.28 145.73 37.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . 0.586 HG12 ' CE2' ' A' ' 551' ' ' TYR . 0.6 OUTLIER -116.79 142.06 32.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 550' ' ' HIS . . . . . 0.583 ' CE1' ' HB2' ' A' ' 561' ' ' ALA . 3.4 t-160 -130.86 118.17 20.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.619 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 551' ' ' TYR . . . . . 0.729 ' HB2' HD21 ' A' ' 587' ' ' LEU . 0.3 OUTLIER -127.41 160.6 30.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.948 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 552' ' ' ARG . . . . . 0.553 ' CZ ' ' NE1' ' A' ' 558' ' ' TRP . 0.5 OUTLIER -138.86 140.89 28.62 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 553' ' ' PRO . . . . . 0.504 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.4 Cg_endo -74.97 143.49 29.21 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.523 1.802 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 586' ' ' GLN . . . -72.97 59.57 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 149.97 38.46 0.03 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -146.09 -94.24 0.15 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 557' ' ' SER . . . . . 0.504 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 47.3 t 178.62 -171.2 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.77 . . . . 0.0 109.983 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 558' ' ' TRP . . . . . 0.553 ' NE1' ' CZ ' ' A' ' 552' ' ' ARG . 86.7 m95 -93.22 120.57 33.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 107.993 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 559' ' ' THR . . . . . 0.492 ' O ' ' CE1' ' A' ' 550' ' ' HIS . 19.9 m -54.16 168.99 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.348 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 560' ' ' ALA . . . . . 0.474 ' N ' HG22 ' A' ' 559' ' ' THR . . . -64.51 107.61 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 561' ' ' ALA . . . . . 0.583 ' HB2' ' CE1' ' A' ' 550' ' ' HIS . . . -70.21 133.72 87.46 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 562' ' ' PRO . . . . . 0.508 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.2 Cg_endo -74.95 146.84 87.79 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 121.033 -2.486 . . . . 0.0 110.992 -0.074 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 563' ' ' GLY . . . . . 0.508 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -41.99 -101.66 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 564' ' ' VAL . . . . . 0.535 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.8 t -136.86 157.68 36.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.474 0.749 . . . . 0.0 109.292 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 565' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 566' ' ' MET . 0.0 OUTLIER -86.96 120.53 28.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 566' ' ' MET . . . . . 0.624 ' HB3' ' HB1' ' A' ' 575' ' ' ALA . 0.9 OUTLIER -35.53 124.72 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.983 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 576' ' ' LYS . 1.6 mt-30 -91.33 110.71 22.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -48.32 133.91 15.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.5 ' HB2' ' HB3' ' A' ' 576' ' ' LYS . . . -73.69 -145.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -124.16 11.32 8.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 571' ' ' ILE . . . . . . . . . . . . . 19.0 mt -82.19 -86.8 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 166.96 91.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.038 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 94.9 8.52 59.13 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.443 1.089 . . . . 0.0 110.953 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -103.61 157.88 16.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 110.965 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 575' ' ' ALA . . . . . 0.624 ' HB1' ' HB3' ' A' ' 566' ' ' MET . . . -115.69 154.47 29.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 576' ' ' LYS . . . . . 0.5 ' HB3' ' HB2' ' A' ' 569' ' ' ALA . 1.0 OUTLIER -154.52 129.13 9.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 577' ' ' ILE . . . . . 1.056 ' O ' HD13 ' A' ' 577' ' ' ILE . 0.0 OUTLIER -126.37 145.54 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 578' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 3.7 m -127.11 130.56 50.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.386 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . 0.75 ' CG1' HD13 ' A' ' 587' ' ' LEU . 0.7 OUTLIER -130.63 132.05 64.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 580' ' ' ASP . . . . . 0.408 ' HA ' ' O ' ' A' ' 534' ' ' ASN . 5.1 t70 -93.5 148.29 22.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 581' ' ' ILE . . . . . 0.921 HD11 ' CG2' ' A' ' 610' ' ' THR . 2.7 pt -128.41 -36.05 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.373 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 582' ' ' GLY . . . . . 0.529 ' O ' ' CB ' ' A' ' 583' ' ' SER . . . 39.39 48.85 2.94 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 583' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 582' ' ' GLY . 0.4 OUTLIER 156.93 -51.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 0.756 . . . . 0.0 109.992 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 584' ' ' ALA . . . . . 0.858 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -65.19 146.09 55.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 71.3 m -112.72 1.18 15.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 110.023 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 586' ' ' GLN . . . . . 0.482 ' O ' ' CB ' ' A' ' 554' ' ' ALA . 19.6 mt-30 -151.3 137.84 18.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.75 HD13 ' CG1' ' A' ' 579' ' ' VAL . 4.2 tt -137.68 132.99 33.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . 0.427 ' O ' ' CA ' ' A' ' 551' ' ' TYR . 1.7 pm0 -97.25 142.53 29.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 589' ' ' ALA . . . . . 0.525 ' CB ' ' HB3' ' A' ' 551' ' ' TYR . . . -139.42 139.74 37.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -123.78 161.41 25.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.276 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 591' ' ' PHE . . . . . 0.58 ' CZ ' ' CD2' ' A' ' 615' ' ' TYR . 7.9 m-85 -118.57 128.83 54.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -146.77 136.09 22.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . 0.404 ' C ' ' OD2' ' A' ' 593' ' ' ASP . 0.0 OUTLIER -67.92 -18.67 64.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.308 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 105.48 19.25 10.68 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.503 1.127 . . . . 0.0 110.966 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -126.34 29.32 5.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 0.736 . . . . 0.0 109.349 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 73.11 17.39 4.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -101.4 79.17 1.94 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 598' ' ' TRP . . . . . 0.412 ' CZ3' ' HB3' ' A' ' 550' ' ' HIS . 9.4 m95 -90.13 126.4 35.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 107.977 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 606' ' ' TYR . . . . . 0.57 ' HB2' ' CE1' ' A' ' 608' ' ' PHE . 92.1 m-85 -127.84 137.76 52.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 4.3 mp -99.61 126.34 45.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 608' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 606' ' ' TYR . 0.4 OUTLIER -122.11 146.36 47.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 609' ' ' SER . . . . . 0.506 ' O ' HG13 ' A' ' 536' ' ' VAL . 20.9 t -102.51 166.24 10.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 610' ' ' THR . . . . . 0.921 ' CG2' HD11 ' A' ' 581' ' ' ILE . 57.3 p -54.97 162.9 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 110.41 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 120.51 -134.81 10.53 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 612' ' ' THR . . . . . 0.419 ' CG2' ' HA ' ' A' ' 630' ' ' ALA . 2.6 m -124.31 123.91 41.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 0.754 . . . . 0.0 110.403 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 11.5 m -139.03 157.72 45.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . 0.51 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 30.3 m -133.58 125.26 28.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.365 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 615' ' ' TYR . . . . . 0.58 ' CD2' ' CZ ' ' A' ' 591' ' ' PHE . 0.1 OUTLIER -97.26 121.05 38.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 20.6 m -117.01 117.81 36.72 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.393 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . 0.58 ' HG3' ' CE2' ' A' ' 540' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.155 0 O-C-N 124.448 1.762 . . . . 0.0 110.993 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 67.5 p . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 626' ' ' ILE . . . . . 0.51 ' HA ' ' O ' ' A' ' 614' ' ' THR . 0.1 OUTLIER -121.92 130.25 74.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.62 125.8 54.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.18 146.54 41.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.424 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 114.43 143.55 8.31 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.544 1.153 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.419 ' HA ' ' CG2' ' A' ' 612' ' ' THR . . . -59.34 133.4 88.19 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.448 0.734 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 631' ' ' PRO . . . . . 0.464 ' HG3' ' CB ' ' A' ' 539' ' ' TYR . 18.3 Cg_endo -74.98 -179.94 5.48 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.489 1.784 . . . . 0.0 110.949 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.989 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 534' ' ' ASN . . . . . 0.566 ' HB3' HG21 ' A' ' 610' ' ' THR . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 535' ' ' LYS . . . . . 0.438 ' HA ' ' O ' ' A' ' 579' ' ' VAL . 0.3 OUTLIER -141.78 149.2 40.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . 0.658 HG13 ' O ' ' A' ' 609' ' ' SER . 1.6 t -115.56 128.23 72.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 16.0 m -102.13 127.39 49.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 1.8 t -126.79 129.96 71.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 539' ' ' TYR . . . . . 0.644 ' HB3' HG23 ' A' ' 614' ' ' THR . 0.7 OUTLIER -111.17 116.53 31.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 540' ' ' TYR . . . . . 0.585 ' CE2' ' HG3' ' A' ' 617' ' ' PRO . 50.6 t80 -112.0 138.61 48.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.969 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -86.96 117.24 25.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 542' ' ' LYS . . . . . 0.489 ' HA ' ' HA3' ' A' ' 543' ' ' GLY . 1.1 ttpt -86.95 142.62 27.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 543' ' ' GLY . . . . . 0.489 ' HA3' ' HA ' ' A' ' 542' ' ' LYS . . . 145.02 -130.63 3.94 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 0.032 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . 0.493 ' CD1' ' N ' ' A' ' 544' ' ' PHE . 4.4 m-85 -121.36 -132.58 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 0.759 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -111.79 -56.27 2.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . 0.43 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 6.9 p -135.58 63.37 53.57 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 109.998 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 547' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.3 Cg_endo -75.05 141.19 26.19 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.519 1.8 . . . . 0.0 111.005 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 548' ' ' TYR . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 565' ' ' LYS . 7.9 m-85 -120.86 155.73 33.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . 0.832 HD13 ' O ' ' A' ' 564' ' ' VAL . 0.2 OUTLIER -129.8 140.9 47.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -120.8 115.33 23.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.631 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 551' ' ' TYR . . . . . 0.631 ' CE2' ' CG1' ' A' ' 549' ' ' ILE . 0.1 OUTLIER -129.66 160.51 33.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 552' ' ' ARG . . . . . 0.62 ' O ' HD12 ' A' ' 587' ' ' LEU . 0.6 OUTLIER -149.78 170.12 8.16 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.273 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 553' ' ' PRO . . . . . 0.564 ' O ' ' HG3' ' A' ' 552' ' ' ARG . 18.2 Cg_endo -75.08 155.76 42.56 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.543 1.812 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . 0.537 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -29.01 -86.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -124.11 94.27 0.48 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.464 1.102 . . . . 0.0 111.005 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -153.88 -86.86 0.06 OUTLIER Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 557' ' ' SER . . . . . 0.574 ' O ' ' HB2' ' A' ' 552' ' ' ARG . 14.4 t -150.34 -175.23 5.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 110.039 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 558' ' ' TRP . . . . . 0.589 ' CG ' ' HD3' ' A' ' 552' ' ' ARG . 66.5 m95 -119.33 140.59 50.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 108.006 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 559' ' ' THR . . . . . 0.434 HG22 ' H ' ' A' ' 560' ' ' ALA . 10.0 m -66.55 172.32 4.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.434 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 560' ' ' ALA . . . . . 0.434 ' H ' HG22 ' A' ' 559' ' ' THR . . . -71.08 107.22 4.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 561' ' ' ALA . . . . . 0.494 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -72.16 134.64 82.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 562' ' ' PRO . . . . . 0.519 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.1 Cg_endo -75.02 148.41 91.64 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 121.024 -2.49 . . . . 0.0 110.972 0.052 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 563' ' ' GLY . . . . . 0.519 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -44.46 -104.06 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 564' ' ' VAL . . . . . 0.832 ' O ' HD13 ' A' ' 549' ' ' ILE . 1.0 OUTLIER -136.23 158.14 38.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 565' ' ' LYS . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 548' ' ' TYR . 0.5 OUTLIER -85.21 117.95 24.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.307 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 566' ' ' MET . . . . . 0.653 ' HB3' ' HB1' ' A' ' 575' ' ' ALA . 3.5 mtp -36.63 136.21 0.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -100.65 115.79 31.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.293 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . 0.422 ' HA ' ' O ' ' A' ' 574' ' ' TYR . 0.0 OUTLIER -46.17 134.91 8.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.407 ' HB2' ' HB3' ' A' ' 576' ' ' LYS . . . -70.45 -143.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -126.02 6.73 7.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 571' ' ' ILE . . . . . 0.494 ' O ' ' CB ' ' A' ' 572' ' ' SER . 77.9 mt -80.97 -78.73 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 572' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 571' ' ' ILE . 0.5 OUTLIER 159.86 93.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.002 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 95.52 8.92 58.17 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.515 1.135 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . 0.422 ' O ' ' HA ' ' A' ' 568' ' ' ASP . 11.3 m-85 -103.77 159.85 15.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 0.771 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 575' ' ' ALA . . . . . 0.653 ' HB1' ' HB3' ' A' ' 566' ' ' MET . . . -117.15 150.44 38.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 576' ' ' LYS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 569' ' ' ALA . 0.3 OUTLIER -151.55 128.67 11.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 577' ' ' ILE . . . . . 0.891 HD12 ' N ' ' A' ' 578' ' ' THR . 0.2 OUTLIER -131.33 152.23 36.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 578' ' ' THR . . . . . 0.891 ' N ' HD12 ' A' ' 577' ' ' ILE . 35.8 m -127.44 140.27 52.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.463 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . 0.65 HG11 HD11 ' A' ' 587' ' ' LEU . 2.9 t -131.99 125.76 55.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 580' ' ' ASP . . . . . 0.518 ' O ' HG23 ' A' ' 581' ' ' ILE . 10.8 t0 -81.02 148.82 29.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 581' ' ' ILE . . . . . 0.949 ' HB ' ' HB3' ' A' ' 584' ' ' ALA . 45.8 pt -156.79 50.78 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -52.69 -19.14 6.21 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 1.2 m -131.42 45.8 2.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.766 . . . . 0.0 109.969 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 584' ' ' ALA . . . . . 0.949 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -162.09 143.6 10.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.82 -2.12 16.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.963 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 586' ' ' GLN . . . . . 0.411 ' O ' ' HB2' ' A' ' 554' ' ' ALA . 28.7 mt-30 -149.0 138.58 21.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.65 HD11 HG11 ' A' ' 579' ' ' VAL . 0.3 OUTLIER -138.11 137.9 38.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . 0.464 ' CG ' ' HG2' ' A' ' 552' ' ' ARG . 1.1 pm0 -100.91 142.48 32.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.261 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 589' ' ' ALA . . . . . 0.516 ' CB ' ' HB3' ' A' ' 551' ' ' TYR . . . -140.62 135.66 31.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.256 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -120.64 157.15 30.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 591' ' ' PHE . . . . . 0.548 ' CZ ' ' CG ' ' A' ' 615' ' ' TYR . 17.9 m-85 -119.16 127.1 53.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.975 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 592' ' ' ASN . . . . . 0.4 ' HA ' ' O ' ' A' ' 597' ' ' ASN . 2.7 p-10 -141.93 161.25 38.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.353 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 21.9 p-10 -84.82 -31.06 24.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . -177.02 -50.13 0.06 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 169.15 72.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 0.741 . . . . 0.0 109.263 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 174.88 -35.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 597' ' ' ASN . . . . . 0.4 ' O ' ' HA ' ' A' ' 592' ' ' ASN . 73.2 m-20 -113.37 87.22 2.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 71.2 m95 -100.48 131.77 46.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 107.984 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 606' ' ' TYR . . . . . 0.883 ' C ' HD13 ' A' ' 607' ' ' LEU . 80.6 m-85 -124.09 162.24 23.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 110.998 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . 0.883 HD13 ' C ' ' A' ' 606' ' ' TYR . 0.0 OUTLIER -124.19 124.11 41.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 608' ' ' PHE . . . . . 0.591 ' CZ ' ' CB ' ' A' ' 606' ' ' TYR . 13.5 m-85 -128.89 145.71 51.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.048 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 609' ' ' SER . . . . . 0.658 ' O ' HG13 ' A' ' 536' ' ' VAL . 38.3 t -111.27 160.06 17.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.002 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 610' ' ' THR . . . . . 0.865 HG23 HD11 ' A' ' 581' ' ' ILE . 63.3 p -46.63 167.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.361 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 114.1 -136.83 13.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.107 . . . . 0.0 110.954 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 612' ' ' THR . . . . . 0.471 HG21 ' HA ' ' A' ' 630' ' ' ALA . 32.0 m -129.92 129.75 44.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 0.743 . . . . 0.0 110.399 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 1.1 t -142.16 156.94 45.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . 0.644 HG23 ' HB3' ' A' ' 539' ' ' TYR . 18.9 m -133.89 119.78 19.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 110.365 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 615' ' ' TYR . . . . . 0.559 ' HA ' HG23 ' A' ' 626' ' ' ILE . 10.1 t80 -96.73 120.22 36.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 96.0 m -109.69 113.26 57.93 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.396 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . 0.585 ' HG3' ' CE2' ' A' ' 540' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.456 1.766 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 4.6 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.402 -0.222 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 626' ' ' ILE . . . . . 0.559 HG23 ' HA ' ' A' ' 615' ' ' TYR . 0.1 OUTLIER -120.44 127.95 75.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 1.4 tpt85 -108.87 127.91 54.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.62 147.36 37.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.433 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 113.23 141.94 8.16 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.454 1.096 . . . . 0.0 110.972 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.471 ' HA ' HG21 ' A' ' 612' ' ' THR . . . -59.9 126.04 82.26 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.462 0.743 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 631' ' ' PRO . . . . . 0.482 ' HG2' ' CD2' ' A' ' 539' ' ' TYR . 18.4 Cg_endo -74.94 155.11 43.19 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.493 1.786 . . . . 0.0 111.006 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.007 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 534' ' ' ASN . . . . . 0.565 ' HB3' HG21 ' A' ' 610' ' ' THR . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 535' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 579' ' ' VAL . 11.0 mtmm -146.83 151.45 37.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . 0.554 HG13 ' HA ' ' A' ' 610' ' ' THR . 0.2 OUTLIER -120.7 113.59 40.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 29.3 m -105.31 121.46 43.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.406 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 538' ' ' VAL . . . . . 0.62 HG12 ' CD1' ' A' ' 577' ' ' ILE . 7.3 p -127.15 141.26 46.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 539' ' ' TYR . . . . . 0.793 ' CE2' HD11 ' A' ' 571' ' ' ILE . 2.8 m-85 -107.98 129.94 55.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 540' ' ' TYR . . . . . 0.527 ' CD2' ' SD ' ' A' ' 566' ' ' MET . 4.7 t80 -113.2 140.06 48.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -90.8 113.31 25.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.361 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 542' ' ' LYS . . . . . 0.484 ' HG3' ' CA ' ' A' ' 543' ' ' GLY . 0.4 OUTLIER -81.24 140.53 34.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 543' ' ' GLY . . . . . 0.484 ' CA ' ' HG3' ' A' ' 542' ' ' LYS . . . 147.54 -136.5 6.09 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 111.043 -0.04 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -120.52 -119.82 0.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 0.0 111.0 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -124.47 -59.33 1.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . 0.478 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 58.3 m -137.17 61.01 31.21 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.014 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 547' ' ' PRO . . . . . 0.478 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.1 Cg_endo -75.03 147.69 34.16 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 110.973 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -122.77 154.02 38.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . 0.596 HG21 ' HG2' ' A' ' 566' ' ' MET . 0.7 OUTLIER -125.28 143.78 37.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 550' ' ' HIS . . . . . 0.401 ' NE2' ' HB2' ' A' ' 561' ' ' ALA . 0.8 OUTLIER -128.98 117.23 20.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.622 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 551' ' ' TYR . . . . . 0.583 ' CD2' HG12 ' A' ' 549' ' ' ILE . 0.2 OUTLIER -128.18 160.93 30.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 552' ' ' ARG . . . . . 0.478 ' HG3' ' N ' ' A' ' 553' ' ' PRO . 0.0 OUTLIER -144.23 152.17 53.51 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 553' ' ' PRO . . . . . 0.498 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.4 Cg_endo -74.98 153.63 42.01 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.474 1.776 . . . . 0.0 111.031 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . 0.468 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -34.26 -70.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -126.06 87.36 0.35 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.467 1.105 . . . . 0.0 110.97 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -149.88 -92.5 0.1 OUTLIER Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 557' ' ' SER . . . . . 0.498 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 39.3 t -170.09 179.68 3.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 0.798 . . . . 0.0 109.974 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 558' ' ' TRP . . . . . 0.448 ' CD1' ' HD3' ' A' ' 552' ' ' ARG . 55.0 m95 -103.31 126.17 50.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 107.965 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 559' ' ' THR . . . . . 0.54 HG22 ' H ' ' A' ' 560' ' ' ALA . 51.4 m -60.47 175.12 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.41 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 560' ' ' ALA . . . . . 0.54 ' H ' HG22 ' A' ' 559' ' ' THR . . . -66.82 107.93 2.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 561' ' ' ALA . . . . . 0.493 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -72.42 133.7 82.85 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 562' ' ' PRO . . . . . 0.514 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.4 Cg_endo -74.98 146.06 85.62 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.984 -2.507 . . . . 0.0 111.025 -0.065 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 563' ' ' GLY . . . . . 0.514 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -37.53 -99.84 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 564' ' ' VAL . . . . . 0.534 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.6 t -137.7 157.54 33.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.547 0.792 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 565' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 566' ' ' MET . 12.1 tptm -87.22 108.01 18.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 566' ' ' MET . . . . . 0.612 ' HB3' ' HB1' ' A' ' 575' ' ' ALA . 0.2 OUTLIER -32.09 130.0 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 111.04 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -98.24 129.06 44.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.287 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.0 146.21 1.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.345 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.803 ' HB2' ' HB3' ' A' ' 576' ' ' LYS . . . -87.52 -147.83 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 570' ' ' GLU . . . . . 0.459 ' O ' ' CG ' ' A' ' 570' ' ' GLU . 1.4 tt0 -122.68 32.93 5.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 571' ' ' ILE . . . . . 0.793 HD11 ' CE2' ' A' ' 539' ' ' TYR . 4.2 mt -109.24 -78.17 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 572' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 571' ' ' ILE . 0.5 OUTLIER 160.15 98.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.014 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 86.73 7.6 78.15 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -103.79 160.17 15.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 0.775 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 575' ' ' ALA . . . . . 0.612 ' HB1' ' HB3' ' A' ' 566' ' ' MET . . . -116.24 153.94 30.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 576' ' ' LYS . . . . . 0.803 ' HB3' ' HB2' ' A' ' 569' ' ' ALA . 0.0 OUTLIER -156.0 132.85 10.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 577' ' ' ILE . . . . . 1.065 ' O ' HD13 ' A' ' 577' ' ' ILE . 0.0 OUTLIER -134.57 147.72 29.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 578' ' ' THR . . . . . 0.47 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 84.8 m -122.62 137.51 54.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.402 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . 0.918 ' CG1' HD13 ' A' ' 587' ' ' LEU . 0.8 OUTLIER -130.6 131.84 64.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 580' ' ' ASP . . . . . 0.454 ' C ' HG23 ' A' ' 581' ' ' ILE . 3.2 t0 -82.39 150.79 26.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 581' ' ' ILE . . . . . 0.873 HD11 HG23 ' A' ' 610' ' ' THR . 36.9 pt -154.76 58.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.232 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 582' ' ' GLY . . . . . 0.484 ' C ' ' O ' ' A' ' 581' ' ' ILE . . . -30.82 -79.21 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.47 1.107 . . . . 0.0 111.022 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.57 -32.44 28.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 0.781 . . . . 0.0 109.984 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 584' ' ' ALA . . . . . 0.771 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -60.13 133.16 55.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.01 -8.38 14.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 110.012 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.08 137.73 31.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.918 HD13 ' CG1' ' A' ' 579' ' ' VAL . 3.8 tt -137.66 131.92 32.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . 0.513 ' HA ' ' O ' ' A' ' 606' ' ' TYR . 2.0 pt-20 -97.39 142.81 28.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 589' ' ' ALA . . . . . 0.606 ' HB3' ' HE2' ' A' ' 608' ' ' PHE . . . -135.09 145.44 47.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -126.07 161.66 27.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 591' ' ' PHE . . . . . 0.563 ' CE2' ' HG3' ' A' ' 617' ' ' PRO . 0.8 OUTLIER -119.66 128.61 53.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 111.051 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 592' ' ' ASN . . . . . 0.418 ' CB ' ' CD2' ' A' ' 598' ' ' TRP . 6.8 p-10 -144.7 135.96 25.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -75.01 -12.39 60.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 78.39 10.86 85.87 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -121.47 56.76 1.04 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 0.778 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 59.82 28.86 18.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -131.05 95.26 3.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.254 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 598' ' ' TRP . . . . . 0.418 ' CD2' ' CB ' ' A' ' 592' ' ' ASN . 27.9 m95 -120.97 137.74 54.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 107.97 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.991 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 606' ' ' TYR . . . . . 0.607 ' HB2' ' CZ ' ' A' ' 608' ' ' PHE . 5.1 m-85 -130.69 136.02 48.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 11.4 mt -99.31 140.74 33.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 608' ' ' PHE . . . . . 0.607 ' CZ ' ' HB2' ' A' ' 606' ' ' TYR . 25.4 m-85 -131.28 146.59 52.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 4.1 t -111.96 155.35 23.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.96 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 610' ' ' THR . . . . . 0.873 HG23 HD11 ' A' ' 581' ' ' ILE . 22.9 p -38.34 154.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.366 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 122.54 -148.33 16.94 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 612' ' ' THR . . . . . 0.615 HG21 ' HB2' ' A' ' 630' ' ' ALA . 1.8 m -111.63 124.91 53.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 0.796 . . . . 0.0 110.408 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 613' ' ' SER . . . . . 0.468 ' C ' HG23 ' A' ' 538' ' ' VAL . 0.5 OUTLIER -128.75 158.85 37.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.99 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . 0.503 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 25.1 m -132.91 122.5 24.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.404 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 615' ' ' TYR . . . . . 0.464 ' CD1' ' CE1' ' A' ' 591' ' ' PHE . 0.2 OUTLIER -102.05 121.14 41.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 111.013 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 55.6 m -131.56 89.83 38.99 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.417 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . 0.563 ' HG3' ' CE2' ' A' ' 591' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.439 1.757 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 7.0 p . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 626' ' ' ILE . . . . . 0.503 ' HA ' ' O ' ' A' ' 614' ' ' THR . 0.1 OUTLIER -120.08 125.97 74.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.65 122.81 48.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.419 1.075 . . . . 0.0 110.286 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.24 150.31 37.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.376 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 108.53 141.26 9.49 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.615 ' HB2' HG21 ' A' ' 612' ' ' THR . . . -59.6 115.92 14.52 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.465 0.744 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 163.94 34.31 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.519 1.799 . . . . 0.0 111.019 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.999 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 534' ' ' ASN . . . . . 0.594 ' HB3' HG21 ' A' ' 610' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 535' ' ' LYS . . . . . 0.47 ' HB3' ' CG2' ' A' ' 578' ' ' THR . 4.3 mtpt -142.32 147.46 36.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . 0.697 HG22 ' HA ' ' A' ' 610' ' ' THR . 1.9 t -115.09 134.62 57.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 37.7 m -100.57 128.75 46.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.4 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 1.8 t -126.47 129.43 71.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 539' ' ' TYR . . . . . 0.497 ' HB3' HG23 ' A' ' 614' ' ' THR . 0.3 OUTLIER -117.48 118.9 33.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.993 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 540' ' ' TYR . . . . . 0.45 ' CD1' ' N ' ' A' ' 541' ' ' LYS . 2.1 t80 -117.74 138.42 52.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 541' ' ' LYS . . . . . 0.45 ' N ' ' CD1' ' A' ' 540' ' ' TYR . 9.6 ttpt -93.55 114.62 27.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 542' ' ' LYS . . . . . 0.459 ' HA ' ' HA3' ' A' ' 543' ' ' GLY . 2.6 ttpt -84.19 142.6 30.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 543' ' ' GLY . . . . . 0.459 ' HA3' ' HA ' ' A' ' 542' ' ' LYS . . . 144.2 -130.13 3.87 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -0.028 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . 0.446 ' CD1' ' N ' ' A' ' 544' ' ' PHE . 7.5 m-85 -112.95 -119.13 0.3 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 0.755 . . . . 0.0 110.95 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -117.54 -52.45 2.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . 0.446 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 65.3 p -162.31 62.72 1.37 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.986 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 547' ' ' PRO . . . . . 0.446 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.4 Cg_endo -75.05 158.72 41.86 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.485 1.782 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 548' ' ' TYR . . . . . 0.513 ' CD1' ' HB2' ' A' ' 562' ' ' PRO . 2.6 m-85 -111.22 162.36 15.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . 0.638 HG21 ' HG2' ' A' ' 566' ' ' MET . 0.2 OUTLIER -123.19 139.06 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 550' ' ' HIS . . . . . 0.605 ' CE1' ' O ' ' A' ' 559' ' ' THR . 3.4 t-160 -127.01 113.98 17.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.559 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 551' ' ' TYR . . . . . 0.822 ' CE1' ' HB1' ' A' ' 589' ' ' ALA . 10.1 m-30 -113.76 164.71 13.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 552' ' ' ARG . . . . . 0.609 ' HB3' ' CZ3' ' A' ' 558' ' ' TRP . 0.0 OUTLIER -149.3 137.64 11.9 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 553' ' ' PRO . . . . . 0.554 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.2 Cg_endo -75.01 159.49 41.27 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.527 1.804 . . . . 0.0 110.982 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . 0.502 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -32.76 -70.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -134.79 83.85 0.28 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.544 1.153 . . . . 0.0 111.022 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -142.43 -90.23 0.14 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 557' ' ' SER . . . . . 0.554 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 18.1 t -161.69 -177.34 5.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.997 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 558' ' ' TRP . . . . . 0.609 ' CZ3' ' HB3' ' A' ' 552' ' ' ARG . 78.1 m95 -107.97 111.48 23.59 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 559' ' ' THR . . . . . 0.605 ' O ' ' CE1' ' A' ' 550' ' ' HIS . 32.5 p -32.74 143.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.426 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 560' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -55.41 106.93 0.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 561' ' ' ALA . . . . . 0.486 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -64.81 131.74 95.25 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 562' ' ' PRO . . . . . 0.513 ' HB2' ' CD1' ' A' ' 548' ' ' TYR . 18.5 Cg_endo -74.96 141.67 72.47 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.976 -2.51 . . . . 0.0 111.037 -0.076 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 563' ' ' GLY . . . . . 0.473 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -41.37 -98.49 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 1.5 t -135.15 156.49 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 109.309 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 565' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 566' ' ' MET . 0.0 OUTLIER -92.36 109.22 20.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.167 . . . . 0.0 109.329 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 566' ' ' MET . . . . . 0.638 ' HG2' HG21 ' A' ' 549' ' ' ILE . 0.0 OUTLIER -37.31 156.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 576' ' ' LYS . 0.3 OUTLIER -124.48 123.52 40.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.327 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . 0.417 ' HA ' ' O ' ' A' ' 574' ' ' TYR . 0.0 OUTLIER -51.18 131.98 28.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -67.13 -145.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -119.81 8.15 11.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 571' ' ' ILE . . . . . 0.515 HG22 ' N ' ' A' ' 572' ' ' SER . 35.1 mt -85.64 -97.07 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 572' ' ' SER . . . . . 0.515 ' N ' HG22 ' A' ' 571' ' ' ILE . 1.0 OUTLIER 178.85 93.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.044 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 96.43 9.57 56.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . 0.417 ' O ' ' HA ' ' A' ' 568' ' ' ASP . 14.4 m-85 -103.23 159.27 15.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 0.806 . . . . 0.0 110.995 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 575' ' ' ALA . . . . . 0.57 ' HB1' ' SD ' ' A' ' 566' ' ' MET . . . -118.83 151.62 37.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 576' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 567' ' ' GLN . 0.0 OUTLIER -154.57 137.33 15.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 577' ' ' ILE . . . . . 0.98 HD12 ' N ' ' A' ' 578' ' ' THR . 0.2 OUTLIER -146.4 152.51 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 578' ' ' THR . . . . . 0.98 ' N ' HD12 ' A' ' 577' ' ' ILE . 41.9 m -121.45 143.07 49.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.38 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . 0.904 HG23 HD11 ' A' ' 577' ' ' ILE . 41.3 t -130.91 123.47 54.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 580' ' ' ASP . . . . . 0.468 ' O ' HG23 ' A' ' 581' ' ' ILE . 9.1 t0 -82.81 149.62 27.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 581' ' ' ILE . . . . . 0.993 ' HB ' ' HB3' ' A' ' 584' ' ' ALA . 30.0 pt -154.98 56.83 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -55.24 -16.8 9.85 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.533 1.146 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.11 49.39 2.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 0.743 . . . . 0.0 110.026 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 584' ' ' ALA . . . . . 0.993 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -164.15 141.96 7.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.68 -3.55 13.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.04 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 586' ' ' GLN . . . . . 0.66 ' HB3' HD22 ' A' ' 607' ' ' LEU . 14.3 mt-30 -147.44 138.03 23.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.339 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.5 HD21 ' HB3' ' A' ' 551' ' ' TYR . 2.8 tt -146.75 126.28 13.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . 0.518 ' HA ' ' O ' ' A' ' 606' ' ' TYR . 1.3 pm0 -90.68 143.58 26.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 589' ' ' ALA . . . . . 0.822 ' HB1' ' CE1' ' A' ' 551' ' ' TYR . . . -127.29 134.84 49.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.453 ' HB2' HD22 ' A' ' 605' ' ' ASN . . . -121.21 160.88 22.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 591' ' ' PHE . . . . . 0.546 ' CE2' ' HG3' ' A' ' 617' ' ' PRO . 7.6 m-85 -115.99 129.23 56.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.1 . . . . 0.0 110.955 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 592' ' ' ASN . . . . . 0.406 ' O ' ' O ' ' A' ' 548' ' ' TYR . 2.7 p-10 -139.87 136.78 34.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -67.1 -31.59 72.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 594' ' ' GLY . . . . . 0.466 ' O ' ' CB ' ' A' ' 595' ' ' ASN . . . -177.58 -40.76 0.06 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.458 1.099 . . . . 0.0 111.065 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 595' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 594' ' ' GLY . 2.6 m-20 158.46 80.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 0.758 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 166.93 -39.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -114.13 106.49 14.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 18.2 m95 -111.46 123.94 51.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 108.034 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 605' ' ' ASN . . . . . 0.453 HD22 ' HB2' ' A' ' 590' ' ' ALA . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 606' ' ' TYR . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 608' ' ' PHE . 82.3 m-85 -128.31 164.22 23.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . 0.66 HD22 ' HB3' ' A' ' 586' ' ' GLN . 13.5 mt -117.84 128.24 54.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 608' ' ' PHE . . . . . 0.691 ' HE1' HD13 ' A' ' 626' ' ' ILE . 23.9 m-85 -133.05 145.71 51.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 609' ' ' SER . . . . . 0.475 ' O ' HG13 ' A' ' 536' ' ' VAL . 19.8 t -111.8 165.26 12.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 610' ' ' THR . . . . . 0.737 HG23 HD11 ' A' ' 581' ' ' ILE . 73.6 p -41.0 163.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.398 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 117.88 -136.64 12.56 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 612' ' ' THR . . . . . . . . . . . . . 2.7 m -129.32 135.8 49.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 110.366 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 94.6 p -142.37 157.87 44.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 110.007 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . 0.497 HG23 ' HB3' ' A' ' 539' ' ' TYR . 4.1 m -134.18 114.95 13.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.16 . . . . 0.0 110.4 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 615' ' ' TYR . . . . . 0.411 ' HA ' HG23 ' A' ' 626' ' ' ILE . 0.1 OUTLIER -97.32 117.28 31.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 90.2 m -119.05 87.29 33.91 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.393 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . 0.546 ' HG3' ' CE2' ' A' ' 591' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.514 1.797 . . . . 0.0 111.034 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 12.8 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 626' ' ' ILE . . . . . 0.691 HD13 ' HE1' ' A' ' 608' ' ' PHE . 0.2 OUTLIER -118.03 125.53 74.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.73 123.14 48.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.306 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.27 147.85 37.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 110.358 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 110.77 142.02 8.99 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -59.51 121.97 60.95 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.448 0.734 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 631' ' ' PRO . . . . . 0.491 ' HG2' ' CD2' ' A' ' 539' ' ' TYR . 18.3 Cg_endo -75.0 158.43 42.22 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.506 1.793 . . . . 0.0 111.02 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.045 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 534' ' ' ASN . . . . . 0.577 ' HB3' HG21 ' A' ' 610' ' ' THR . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 535' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 579' ' ' VAL . 5.9 mtmp? -142.27 146.04 34.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . 0.991 HG21 HD13 ' A' ' 587' ' ' LEU . 5.9 m -115.16 121.08 66.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 94.7 m -102.44 124.11 47.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.36 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 538' ' ' VAL . . . . . 0.434 ' O ' ' HA ' ' A' ' 576' ' ' LYS . 14.2 t -125.2 138.09 55.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 539' ' ' TYR . . . . . 0.442 ' CE2' ' CB ' ' A' ' 569' ' ' ALA . 1.8 m-85 -116.93 121.73 42.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 540' ' ' TYR . . . . . 0.455 ' CE1' ' O ' ' A' ' 541' ' ' LYS . 2.6 t80 -118.51 139.76 50.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 111.021 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 541' ' ' LYS . . . . . 0.455 ' O ' ' CE1' ' A' ' 540' ' ' TYR . 0.2 OUTLIER -88.22 114.49 24.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 542' ' ' LYS . . . . . 0.484 ' HG3' ' CA ' ' A' ' 543' ' ' GLY . 2.6 ttpt -85.66 142.27 29.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 543' ' ' GLY . . . . . 0.484 ' CA ' ' HG3' ' A' ' 542' ' ' LYS . . . 146.62 -130.72 3.75 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.504 1.128 . . . . 0.0 111.028 0.022 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . 0.486 ' CD1' ' N ' ' A' ' 544' ' ' PHE . 5.5 m-85 -118.84 -128.44 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 0.778 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -114.64 -59.4 2.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . 0.445 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 2.4 m -137.04 62.04 37.45 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.984 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 547' ' ' PRO . . . . . 0.445 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.3 Cg_endo -75.01 145.07 30.96 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.53 1.805 . . . . 0.0 111.043 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -119.34 146.64 45.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.981 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . 0.595 HG12 ' CD2' ' A' ' 551' ' ' TYR . 0.4 OUTLIER -116.85 143.53 26.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -128.62 118.17 22.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.607 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 551' ' ' TYR . . . . . 0.595 ' CD2' HG12 ' A' ' 549' ' ' ILE . 0.4 OUTLIER -130.25 160.66 33.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 111.015 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 552' ' ' ARG . . . . . 0.491 ' HG3' ' N ' ' A' ' 553' ' ' PRO . 0.3 OUTLIER -138.59 153.6 72.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.336 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 553' ' ' PRO . . . . . 0.565 ' O ' ' C ' ' A' ' 554' ' ' ALA . 18.2 Cg_endo -75.04 153.55 41.65 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.52 1.8 . . . . 0.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . 0.565 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -27.38 -74.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -129.9 84.41 0.32 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 111.022 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -141.99 -91.58 0.17 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 557' ' ' SER . . . . . 0.481 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 30.4 t -164.62 179.97 6.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 0.778 . . . . 0.0 110.009 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 558' ' ' TRP . . . . . 0.44 ' NE1' ' HD3' ' A' ' 552' ' ' ARG . 62.3 m95 -106.98 114.49 28.6 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 559' ' ' THR . . . . . 0.494 HG22 ' H ' ' A' ' 560' ' ' ALA . 21.5 m -46.66 173.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.375 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 560' ' ' ALA . . . . . 0.494 ' H ' HG22 ' A' ' 559' ' ' THR . . . -72.08 107.86 4.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 561' ' ' ALA . . . . . 0.516 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -67.47 134.55 92.93 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 562' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 561' ' ' ALA . 18.4 Cg_endo -74.99 148.45 91.78 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.985 -2.506 . . . . 0.0 111.01 -0.022 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 563' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -43.23 -100.31 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.46 1.1 . . . . 0.0 111.031 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 564' ' ' VAL . . . . . 0.519 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.8 t -135.93 157.92 38.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.489 0.758 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 565' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 566' ' ' MET . 7.2 tptp -86.19 115.83 24.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 566' ' ' MET . . . . . 0.615 ' SD ' ' HB1' ' A' ' 575' ' ' ALA . 0.1 OUTLIER -33.85 149.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 568' ' ' ASP . 15.0 mm-40 -118.13 110.22 17.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 567' ' ' GLN . 0.1 OUTLIER -37.0 144.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.546 ' HB2' ' HB3' ' A' ' 576' ' ' LYS . . . -85.77 -150.19 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -120.26 10.1 11.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.317 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 571' ' ' ILE . . . . . 0.562 HD12 ' HB3' ' A' ' 632' ' ' SER . 36.9 mm -82.56 -88.25 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 170.92 94.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.026 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 89.93 9.79 65.49 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.451 1.094 . . . . 0.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -103.68 158.35 16.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 0.763 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 575' ' ' ALA . . . . . 0.615 ' HB1' ' SD ' ' A' ' 566' ' ' MET . . . -115.94 151.87 34.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 576' ' ' LYS . . . . . 0.546 ' HB3' ' HB2' ' A' ' 569' ' ' ALA . 12.1 ptmt -153.38 131.12 11.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 577' ' ' ILE . . . . . 0.949 HD12 ' N ' ' A' ' 578' ' ' THR . 0.2 OUTLIER -128.63 150.41 34.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.247 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 578' ' ' THR . . . . . 0.949 ' N ' HD12 ' A' ' 577' ' ' ILE . 3.7 m -128.29 136.81 51.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.42 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . 0.786 HG23 HD11 ' A' ' 577' ' ' ILE . 97.5 t -130.93 127.84 61.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 580' ' ' ASP . . . . . 0.594 ' O ' HG23 ' A' ' 581' ' ' ILE . 0.2 OUTLIER -79.83 148.92 31.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 581' ' ' ILE . . . . . 0.902 HG21 HD12 ' A' ' 587' ' ' LEU . 16.6 pt -158.33 64.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 582' ' ' GLY . . . . . 0.536 ' O ' ' CB ' ' A' ' 583' ' ' SER . . . -68.08 53.31 0.41 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.552 1.157 . . . . 0.0 111.049 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 583' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 582' ' ' GLY . 0.5 OUTLIER 155.36 43.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 0.729 . . . . 0.0 110.034 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 584' ' ' ALA . . . . . 0.873 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -153.49 143.05 21.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 34.5 p -113.62 2.0 15.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.037 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -153.04 138.46 17.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.271 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.991 HD13 HG21 ' A' ' 536' ' ' VAL . 4.2 tt -135.85 133.83 38.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . 0.531 ' N ' HD23 ' A' ' 587' ' ' LEU . 38.3 tt0 -99.5 145.01 27.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.273 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 589' ' ' ALA . . . . . 0.415 ' CB ' ' HB3' ' A' ' 551' ' ' TYR . . . -142.21 144.51 33.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 1.015 ' HB2' ' ND2' ' A' ' 605' ' ' ASN . . . -131.48 163.16 28.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 591' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -116.4 127.51 54.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 592' ' ' ASN . . . . . 0.483 ' HB3' ' CE3' ' A' ' 598' ' ' TRP . 7.3 p30 -144.32 135.76 25.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -60.22 -54.0 50.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 594' ' ' GLY . . . . . 0.483 ' O ' ' CB ' ' A' ' 595' ' ' ASN . . . 178.36 40.06 0.06 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.133 . . . . 0.0 110.973 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 595' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 594' ' ' GLY . 6.9 t-20 80.5 81.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 596' ' ' ASN . . . . . 0.423 ' CB ' ' O ' ' A' ' 595' ' ' ASN . 0.7 OUTLIER 162.13 -28.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.249 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -139.53 109.14 6.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 598' ' ' TRP . . . . . 0.483 ' CE3' ' HB3' ' A' ' 592' ' ' ASN . 19.9 m95 -116.76 134.82 54.33 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 605' ' ' ASN . . . . . 1.015 ' ND2' ' HB2' ' A' ' 590' ' ' ALA . 1.3 m-20 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 606' ' ' TYR . . . . . 0.647 ' CG ' HD11 ' A' ' 626' ' ' ILE . 56.6 m-85 -130.31 147.68 52.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.098 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 3.3 mp -103.2 130.19 50.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 608' ' ' PHE . . . . . 0.556 ' CD1' ' O ' ' A' ' 587' ' ' LEU . 0.0 OUTLIER -128.78 135.97 49.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 111.0 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.08 167.16 19.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 0.0 110.007 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 610' ' ' THR . . . . . 0.84 ' HA ' HG12 ' A' ' 536' ' ' VAL . 34.3 p -51.82 165.59 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.413 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 113.21 -142.32 17.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.504 1.127 . . . . 0.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 612' ' ' THR . . . . . 0.596 HG21 ' CA ' ' A' ' 630' ' ' ALA . 19.6 m -113.24 131.95 55.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.75 . . . . 0.0 110.45 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 14.6 m -142.27 157.05 45.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.001 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . 0.642 ' O ' HG22 ' A' ' 626' ' ' ILE . 23.8 m -133.41 136.03 44.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 110.421 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 615' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -120.98 113.7 20.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 44.4 m -117.53 109.72 41.56 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.34 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.134 0 O-C-N 124.483 1.781 . . . . 0.0 111.003 179.954 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 10.2 p . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.418 -0.215 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 626' ' ' ILE . . . . . 0.647 HD11 ' CG ' ' A' ' 606' ' ' TYR . 0.1 OUTLIER -119.36 136.25 57.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.342 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -123.95 121.79 36.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.92 150.66 35.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.407 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 99.63 143.87 15.3 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.588 1.18 . . . . 0.0 110.966 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.596 ' CA ' HG21 ' A' ' 612' ' ' THR . . . -59.03 117.33 20.53 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.473 0.749 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 631' ' ' PRO . . . . . 0.471 ' HG3' ' CG2' ' A' ' 614' ' ' THR . 18.3 Cg_endo -74.99 171.52 18.16 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.479 1.779 . . . . 0.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 632' ' ' SER . . . . . 0.562 ' HB3' HD12 ' A' ' 571' ' ' ILE . 12.4 m . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 110.006 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 534' ' ' ASN . . . . . 0.513 ' CB ' HG21 ' A' ' 610' ' ' THR . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 535' ' ' LYS . . . . . 0.412 ' HB3' HG22 ' A' ' 578' ' ' THR . 8.5 mtmt -145.56 145.65 31.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . 0.757 HG22 ' O ' ' A' ' 579' ' ' VAL . 0.3 OUTLIER -115.41 113.3 43.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 16.8 m -101.03 123.41 45.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.431 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 538' ' ' VAL . . . . . 0.458 ' HB ' HD12 ' A' ' 577' ' ' ILE . 2.0 t -126.26 128.53 71.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 539' ' ' TYR . . . . . 0.547 ' CE1' ' HD2' ' A' ' 576' ' ' LYS . 3.5 m-85 -103.09 130.33 50.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 540' ' ' TYR . . . . . 0.612 ' CE1' ' O ' ' A' ' 541' ' ' LYS . 2.2 t80 -118.31 139.69 50.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 111.055 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 541' ' ' LYS . . . . . 0.612 ' O ' ' CE1' ' A' ' 540' ' ' TYR . 4.6 ttpt -91.25 123.75 34.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 542' ' ' LYS . . . . . 0.44 ' HG3' ' CA ' ' A' ' 543' ' ' GLY . 4.0 ttpt -80.41 138.4 36.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 543' ' ' GLY . . . . . 0.44 ' CA ' ' HG3' ' A' ' 542' ' ' LYS . . . 153.77 -128.43 2.4 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.117 . . . . 0.0 110.999 0.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -146.48 -88.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.744 . . . . 0.0 111.062 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 545' ' ' ASN . . . . . 0.512 ' O ' ' CB ' ' A' ' 546' ' ' SER . 18.6 m-80 -141.89 23.64 2.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.227 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 545' ' ' ASN . 1.9 t 87.19 72.87 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 158.21 42.07 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.553 1.817 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -95.41 144.52 25.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . 0.597 HG12 ' CD2' ' A' ' 551' ' ' TYR . 0.5 OUTLIER -116.56 142.88 28.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -129.38 117.05 19.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.597 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 551' ' ' TYR . . . . . 0.597 ' CD2' HG12 ' A' ' 549' ' ' ILE . 0.5 OUTLIER -129.14 161.21 30.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 552' ' ' ARG . . . . . 0.474 ' CZ ' ' HA2' ' A' ' 555' ' ' GLY . 0.2 OUTLIER -142.19 153.0 62.72 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 553' ' ' PRO . . . . . 0.723 ' O ' ' C ' ' A' ' 554' ' ' ALA . 18.4 Cg_endo -74.99 135.47 19.14 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.464 1.771 . . . . 0.0 111.051 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . 0.723 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -0.11 81.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 555' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 553' ' ' PRO . . . 33.57 70.94 0.12 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 553' ' ' PRO . . . -125.62 -94.51 0.97 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 557' ' ' SER . . . . . 0.43 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 0.0 OUTLIER -113.75 139.14 49.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 0.0 110.032 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 558' ' ' TRP . . . . . 0.44 ' NE1' ' HD3' ' A' ' 552' ' ' ARG . 55.3 m95 -97.57 103.32 15.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 108.022 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 559' ' ' THR . . . . . 0.416 ' O ' ' O ' ' A' ' 558' ' ' TRP . 39.0 m -43.09 167.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 110.396 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -61.75 107.75 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 561' ' ' ALA . . . . . 0.501 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -70.05 133.32 87.94 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 562' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 561' ' ' ALA . 18.3 Cg_endo -74.98 144.62 81.54 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.039 -2.484 . . . . 0.0 110.982 -0.025 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 563' ' ' GLY . . . . . 0.487 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -38.2 -98.23 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 564' ' ' VAL . . . . . 0.509 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.6 t -136.88 157.71 36.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 0.751 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 565' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 566' ' ' MET . 0.0 OUTLIER -86.91 120.88 28.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 566' ' ' MET . . . . . 0.674 ' HB3' ' HB1' ' A' ' 575' ' ' ALA . 4.2 mmt -32.16 119.84 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . 0.451 ' O ' ' O ' ' A' ' 576' ' ' LYS . 0.2 OUTLIER -87.94 116.86 26.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -42.15 146.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -88.33 -147.45 0.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -125.91 7.79 7.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.306 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 571' ' ' ILE . . . . . . . . . . . . . 6.1 mm -80.09 -85.64 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 169.1 93.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.984 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 90.59 9.15 64.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.444 1.09 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.95 157.22 17.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 0.742 . . . . 0.0 111.001 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 575' ' ' ALA . . . . . 0.674 ' HB1' ' HB3' ' A' ' 566' ' ' MET . . . -118.11 155.24 30.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 576' ' ' LYS . . . . . 0.547 ' HD2' ' CE1' ' A' ' 539' ' ' TYR . 1.8 pttm -154.1 146.96 24.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 577' ' ' ILE . . . . . 1.047 ' O ' HD13 ' A' ' 577' ' ' ILE . 0.0 OUTLIER -134.82 147.73 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 578' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 3.7 m -127.16 130.98 50.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.422 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . 0.757 ' O ' HG22 ' A' ' 536' ' ' VAL . 2.7 t -129.88 128.95 65.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 580' ' ' ASP . . . . . 0.439 ' HA ' ' O ' ' A' ' 534' ' ' ASN . 0.1 OUTLIER -79.24 141.29 37.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 581' ' ' ILE . . . . . 0.861 HD11 HG23 ' A' ' 610' ' ' THR . 42.4 pt -143.82 54.09 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 582' ' ' GLY . . . . . 0.494 ' O ' ' CB ' ' A' ' 583' ' ' SER . . . -68.14 58.87 0.4 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 583' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 582' ' ' GLY . 2.9 p 159.84 -24.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 110.019 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 584' ' ' ALA . . . . . 0.686 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -97.53 140.84 31.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.45 -3.69 25.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.01 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 586' ' ' GLN . . . . . 0.902 ' HB3' HD12 ' A' ' 607' ' ' LEU . 3.8 mt-30 -151.22 138.31 19.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.744 HD11 HG11 ' A' ' 579' ' ' VAL . 1.1 tt -133.29 133.84 43.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . 0.454 ' HA ' ' O ' ' A' ' 606' ' ' TYR . 1.7 pm0 -94.57 142.71 27.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 589' ' ' ALA . . . . . 0.504 ' CB ' ' HB3' ' A' ' 551' ' ' TYR . . . -138.48 138.97 38.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 109.255 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -121.25 161.61 21.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.263 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 591' ' ' PHE . . . . . 0.756 ' CD1' ' CZ ' ' A' ' 615' ' ' TYR . 3.5 m-85 -121.97 129.46 52.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 592' ' ' ASN . . . . . 0.493 ' HB3' ' CE3' ' A' ' 598' ' ' TRP . 8.5 p30 -142.29 142.52 32.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -63.04 -30.45 71.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 594' ' ' GLY . . . . . 0.451 ' O ' ' ND2' ' A' ' 595' ' ' ASN . . . 169.08 -37.54 0.2 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 595' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 594' ' ' GLY . 1.1 m-80 159.89 79.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 6.5 t30 173.2 -35.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.346 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -127.08 88.56 2.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 598' ' ' TRP . . . . . 0.493 ' CE3' ' HB3' ' A' ' 592' ' ' ASN . 65.2 m95 -97.01 123.78 40.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 108.015 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.956 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 606' ' ' TYR . . . . . 0.649 ' CD1' HD11 ' A' ' 626' ' ' ILE . 89.7 m-85 -121.62 130.14 53.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . 0.902 HD12 ' HB3' ' A' ' 586' ' ' GLN . 4.3 mm? -100.62 124.78 46.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 608' ' ' PHE . . . . . 0.583 ' CE1' ' HB3' ' A' ' 606' ' ' TYR . 13.2 m-85 -122.44 148.67 44.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 33.3 t -111.17 170.69 7.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.0 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 610' ' ' THR . . . . . 0.861 HG23 HD11 ' A' ' 581' ' ' ILE . 40.8 p -55.84 161.58 2.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 110.393 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 116.1 -132.81 10.42 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 612' ' ' THR . . . . . 0.562 HG21 ' CA ' ' A' ' 630' ' ' ALA . 24.4 m -128.34 130.29 47.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 0.784 . . . . 0.0 110.409 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 613' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 538' ' ' VAL . 53.3 m -140.99 157.7 44.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.038 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . 0.511 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 3.2 m -133.55 113.42 12.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.388 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 615' ' ' TYR . . . . . 0.756 ' CZ ' ' CD1' ' A' ' 591' ' ' PHE . 0.0 OUTLIER -97.34 114.15 25.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 75.7 m -118.5 111.11 38.29 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 0.0 110.418 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.481 1.779 . . . . 0.0 111.017 179.955 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 10.8 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 626' ' ' ILE . . . . . 0.649 HD11 ' CD1' ' A' ' 606' ' ' TYR . 0.1 OUTLIER -119.97 125.19 74.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.263 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.51 123.56 49.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.93 148.91 37.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.376 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 105.58 142.17 11.0 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.562 ' CA ' HG21 ' A' ' 612' ' ' THR . . . -59.84 121.14 55.89 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 631' ' ' PRO . . . . . 0.457 ' HG3' ' CG2' ' A' ' 614' ' ' THR . 18.5 Cg_endo -74.97 154.51 42.68 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.446 1.761 . . . . 0.0 111.046 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 80.8 p . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.983 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 534' ' ' ASN . . . . . 0.734 ' HB3' HG21 ' A' ' 610' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 535' ' ' LYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 579' ' ' VAL . 25.6 mtpt -143.24 152.22 41.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 578' ' ' THR . 1.0 OUTLIER -115.26 126.03 72.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 93.6 m -107.11 125.66 51.36 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.135 . . . . 0.0 110.396 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 538' ' ' VAL . . . . . 0.46 ' HB ' HD12 ' A' ' 577' ' ' ILE . 2.1 t -126.6 132.41 70.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 539' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -101.67 138.42 38.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 540' ' ' TYR . . . . . 0.739 ' CD1' ' CE2' ' A' ' 615' ' ' TYR . 14.6 t80 -127.01 139.36 53.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -89.67 113.46 24.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 542' ' ' LYS . . . . . 0.524 ' CE ' ' N ' ' A' ' 543' ' ' GLY . 0.0 OUTLIER -87.0 126.9 35.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.25 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 543' ' ' GLY . . . . . 0.524 ' N ' ' CE ' ' A' ' 542' ' ' LYS . . . 162.23 -126.51 1.57 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 0.0 111.037 -0.058 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -130.54 -46.7 1.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 0.776 . . . . 0.0 111.01 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 4.6 p30 177.21 -43.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . 0.45 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 0.7 OUTLIER 179.94 62.19 0.11 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.024 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 547' ' ' PRO . . . . . 0.45 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.1 Cg_endo -75.02 146.9 33.13 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.494 1.786 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 548' ' ' TYR . . . . . 0.433 ' CE2' ' HB3' ' A' ' 565' ' ' LYS . 3.6 m-85 -105.33 162.09 13.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 111.051 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . 0.57 HG12 ' CE2' ' A' ' 551' ' ' TYR . 0.5 OUTLIER -126.82 142.27 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.343 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -130.9 116.2 17.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.563 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 551' ' ' TYR . . . . . 0.673 ' HB2' HD21 ' A' ' 587' ' ' LEU . 0.2 OUTLIER -120.03 160.41 22.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 552' ' ' ARG . . . . . 0.578 ' HD3' ' CD1' ' A' ' 558' ' ' TRP . 0.3 OUTLIER -138.71 132.61 16.35 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.284 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 553' ' ' PRO . . . . . 0.527 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.3 Cg_endo -75.02 158.62 42.03 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.524 1.802 . . . . 0.0 110.963 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -50.85 -22.81 2.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.26 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -55.93 -18.0 17.4 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . 0.416 ' C ' ' HD2' ' A' ' 552' ' ' ARG . . . 84.71 27.72 34.26 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 557' ' ' SER . . . . . 0.527 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 0.5 OUTLIER -104.13 150.6 24.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 0.779 . . . . 0.0 109.995 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 558' ' ' TRP . . . . . 0.578 ' CD1' ' HD3' ' A' ' 552' ' ' ARG . 86.0 m95 -124.09 99.35 6.2 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 52.8 m -44.75 169.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.422 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 560' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -57.41 108.81 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 561' ' ' ALA . . . . . 0.474 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -77.07 132.62 70.36 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.448 1.093 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 562' ' ' PRO . . . . . 0.522 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.3 Cg_endo -75.01 145.02 82.77 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.942 -2.524 . . . . 0.0 111.015 -0.057 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 563' ' ' GLY . . . . . 0.522 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -36.63 -99.31 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.44 1.088 . . . . 0.0 110.977 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 564' ' ' VAL . . . . . 0.551 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 2.8 t -137.97 159.68 33.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 565' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 566' ' ' MET . 0.0 OUTLIER -86.13 122.85 30.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.338 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 566' ' ' MET . . . . . 0.787 ' HE3' HG21 ' A' ' 577' ' ' ILE . 0.0 OUTLIER -34.21 128.42 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 111.02 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . 0.458 ' O ' ' O ' ' A' ' 576' ' ' LYS . 1.3 mm-40 -96.45 112.31 24.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 567' ' ' GLN . 0.2 OUTLIER -38.17 144.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.416 ' HB2' ' HB3' ' A' ' 576' ' ' LYS . . . -91.29 -143.5 0.18 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -129.43 9.78 5.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 571' ' ' ILE . . . . . 0.401 ' O ' ' CB ' ' A' ' 572' ' ' SER . 46.9 mm -79.31 -84.69 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 572' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 571' ' ' ILE . 0.3 OUTLIER 166.3 91.78 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.142 . . . . 0.0 110.01 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 91.77 6.93 65.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.551 1.157 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . 0.404 ' CE2' ' OG ' ' A' ' 632' ' ' SER . 0.2 OUTLIER -103.91 155.7 18.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 0.737 . . . . 0.0 110.995 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 575' ' ' ALA . . . . . . . . . . . . . . . -115.75 157.12 24.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 576' ' ' LYS . . . . . 0.458 ' O ' ' O ' ' A' ' 567' ' ' GLN . 6.3 ptmt -153.94 140.36 18.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 577' ' ' ILE . . . . . 1.062 ' O ' HD13 ' A' ' 577' ' ' ILE . 0.0 OUTLIER -132.25 147.68 32.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 578' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 68.8 m -123.05 135.43 54.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.418 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 535' ' ' LYS . 3.5 t -130.08 118.88 45.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 580' ' ' ASP . . . . . 0.443 ' OD2' ' N ' ' A' ' 581' ' ' ILE . 3.7 t0 -86.02 148.87 25.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 581' ' ' ILE . . . . . 0.953 ' HB ' ' HB3' ' A' ' 584' ' ' ALA . 1.6 pt -128.07 -34.26 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . 82.71 -53.49 4.84 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.433 1.083 . . . . 0.0 111.0 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 583' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 584' ' ' ALA . 0.4 OUTLIER -129.39 -46.99 1.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 110.021 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 584' ' ' ALA . . . . . 0.953 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -37.67 140.1 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 89.1 p -113.39 5.81 16.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -146.48 138.62 24.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.261 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.673 HD21 ' HB2' ' A' ' 551' ' ' TYR . 2.4 tt -149.11 134.85 18.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . 0.46 ' CB ' ' O ' ' A' ' 606' ' ' TYR . 2.6 pm0 -99.41 143.06 30.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 589' ' ' ALA . . . . . . . . . . . . . . . -131.7 134.07 45.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.408 ' C ' ' CD1' ' A' ' 591' ' ' PHE . . . -118.85 159.47 23.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 591' ' ' PHE . . . . . 0.569 ' CE2' ' CD1' ' A' ' 615' ' ' TYR . 0.3 OUTLIER -119.15 127.64 53.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.972 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 592' ' ' ASN . . . . . 0.428 ' HB2' ' NE1' ' A' ' 598' ' ' TRP . 10.2 p-10 -147.43 137.52 23.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 -75.73 -29.33 58.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 106.15 46.55 1.15 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -162.66 -40.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 171.94 -29.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -59.58 88.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 598' ' ' TRP . . . . . 0.428 ' NE1' ' HB2' ' A' ' 592' ' ' ASN . 11.7 m95 -113.81 146.82 39.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 107.981 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.97 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 606' ' ' TYR . . . . . 0.46 ' O ' ' CB ' ' A' ' 588' ' ' GLU . 20.7 m-85 -105.1 162.02 13.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 3.8 mt -130.5 120.84 24.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 608' ' ' PHE . . . . . 0.727 ' HZ ' HD13 ' A' ' 626' ' ' ILE . 28.3 m-85 -141.44 157.31 45.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 8.6 t -110.78 164.05 13.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.045 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 610' ' ' THR . . . . . 0.789 ' CG2' HD11 ' A' ' 581' ' ' ILE . 57.1 p -39.15 158.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.382 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 129.47 -137.24 9.43 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.463 1.102 . . . . 0.0 111.046 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 612' ' ' THR . . . . . 0.518 HG21 ' CA ' ' A' ' 630' ' ' ALA . 91.8 m -126.04 131.3 52.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.766 . . . . 0.0 110.421 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 613' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 538' ' ' VAL . 3.9 p -142.25 157.8 44.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.04 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . 0.497 HG23 ' HG3' ' A' ' 631' ' ' PRO . 12.1 m -134.66 114.36 12.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.42 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 615' ' ' TYR . . . . . 0.739 ' CE2' ' CD1' ' A' ' 540' ' ' TYR . 0.0 OUTLIER -99.69 114.63 27.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 111.022 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 85.7 m -117.58 109.73 41.45 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.415 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . 0.465 ' HD3' ' CE1' ' A' ' 615' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.419 1.747 . . . . 0.0 110.969 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 12.6 p . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 626' ' ' ILE . . . . . 0.727 HD13 ' HZ ' ' A' ' 608' ' ' PHE . 0.1 OUTLIER -120.49 126.66 75.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -115.58 128.59 56.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.03 147.38 38.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 110.378 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 112.24 139.91 7.81 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.518 ' CA ' HG21 ' A' ' 612' ' ' THR . . . -61.31 119.82 49.63 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.486 0.757 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 631' ' ' PRO . . . . . 0.497 ' HG3' HG23 ' A' ' 614' ' ' THR . 18.3 Cg_endo -75.03 -177.18 3.3 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.483 1.78 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 632' ' ' SER . . . . . 0.404 ' OG ' ' CE2' ' A' ' 574' ' ' TYR . 12.6 m . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.021 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 534' ' ' ASN . . . . . 0.599 ' HB3' HG21 ' A' ' 610' ' ' THR . 1.4 m-20 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 535' ' ' LYS . . . . . 0.456 ' HB3' HG22 ' A' ' 578' ' ' THR . 0.4 OUTLIER -145.81 150.49 36.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 109.337 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . 0.653 HG13 ' HA ' ' A' ' 610' ' ' THR . 0.2 OUTLIER -118.78 120.39 63.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 22.9 m -102.58 121.99 43.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 110.414 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 1.7 t -127.07 131.56 70.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 539' ' ' TYR . . . . . 0.571 ' CD2' ' HG2' ' A' ' 631' ' ' PRO . 3.5 m-85 -106.31 128.44 53.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 540' ' ' TYR . . . . . 0.616 ' HB2' ' CD2' ' A' ' 615' ' ' TYR . 2.3 t80 -119.32 139.64 51.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 541' ' ' LYS . . . . . 0.43 ' N ' ' CD1' ' A' ' 540' ' ' TYR . 1.5 tttt -92.11 112.37 24.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 542' ' ' LYS . . . . . 0.523 ' HA ' ' HA3' ' A' ' 543' ' ' GLY . 0.0 OUTLIER -104.86 143.88 32.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 543' ' ' GLY . . . . . 0.523 ' HA3' ' HA ' ' A' ' 542' ' ' LYS . . . 137.37 -132.6 6.02 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.461 1.101 . . . . 0.0 110.97 0.029 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . 0.431 ' CZ ' ' OD2' ' A' ' 593' ' ' ASP . 30.7 m-85 -91.8 -168.25 1.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 110.979 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -95.29 6.03 50.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 12.1 p 171.46 65.24 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.98 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 144.81 30.57 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.526 1.803 . . . . 0.0 111.019 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -124.13 148.66 47.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.019 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . 0.642 HG21 ' SD ' ' A' ' 566' ' ' MET . 1.2 tt -126.69 144.09 38.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 550' ' ' HIS . . . . . 0.425 ' CD2' ' HB2' ' A' ' 561' ' ' ALA . 0.8 OUTLIER -129.74 116.3 18.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.58 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 551' ' ' TYR . . . . . 0.576 ' CD2' HG12 ' A' ' 549' ' ' ILE . 0.3 OUTLIER -127.79 161.86 28.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.961 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 552' ' ' ARG . . . . . 0.978 ' O ' HD12 ' A' ' 587' ' ' LEU . 0.6 OUTLIER -139.61 153.97 70.83 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.274 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 553' ' ' PRO . . . . . 0.707 ' O ' ' C ' ' A' ' 554' ' ' ALA . 18.3 Cg_endo -74.95 133.76 17.06 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.508 1.793 . . . . 0.0 111.007 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . 0.707 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . 3.56 76.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 555' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 553' ' ' PRO . . . 34.04 72.94 0.09 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 553' ' ' PRO . . . -128.06 -91.47 0.71 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 557' ' ' SER . . . . . 0.449 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 0.0 OUTLIER -114.69 138.26 50.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 0.787 . . . . 0.0 110.011 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 558' ' ' TRP . . . . . 0.56 ' CE2' ' HD2' ' A' ' 552' ' ' ARG . 43.6 m95 -91.02 105.88 18.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 107.973 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 559' ' ' THR . . . . . 0.415 ' O ' ' CE1' ' A' ' 550' ' ' HIS . 18.1 m -44.04 169.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.37 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 560' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -63.38 109.34 1.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 561' ' ' ALA . . . . . 0.497 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -74.5 133.86 76.82 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 562' ' ' PRO . . . . . 0.504 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.1 Cg_endo -75.0 147.25 88.82 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.995 -0.038 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 563' ' ' GLY . . . . . 0.504 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -41.75 -101.64 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.536 1.147 . . . . 0.0 111.022 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 564' ' ' VAL . . . . . 0.516 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.9 t -136.19 158.79 38.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.511 0.771 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 565' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 566' ' ' MET . 0.7 OUTLIER -88.01 116.31 26.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 566' ' ' MET . . . . . 0.642 ' SD ' HG21 ' A' ' 549' ' ' ILE . 0.0 OUTLIER -32.89 130.46 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 110.966 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 576' ' ' LYS . 4.0 mt-30 -93.14 117.9 30.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.356 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -46.39 134.07 9.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.478 ' HB2' ' HB3' ' A' ' 576' ' ' LYS . . . -76.31 -151.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -123.98 28.93 6.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 571' ' ' ILE . . . . . . . . . . . . . 4.4 mm -105.28 -84.92 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 168.67 105.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.997 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 79.86 9.7 86.46 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -105.21 157.66 17.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 575' ' ' ALA . . . . . 0.505 ' HB1' ' HG2' ' A' ' 566' ' ' MET . . . -120.59 157.93 28.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 576' ' ' LYS . . . . . 0.478 ' HB3' ' HB2' ' A' ' 569' ' ' ALA . 0.0 OUTLIER -156.03 145.1 20.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 577' ' ' ILE . . . . . 1.059 ' O ' HD13 ' A' ' 577' ' ' ILE . 0.0 OUTLIER -142.26 147.82 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 578' ' ' THR . . . . . 0.456 HG22 ' HB3' ' A' ' 535' ' ' LYS . 3.6 m -123.24 132.55 54.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.117 . . . . 0.0 110.374 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . 0.643 ' O ' HG23 ' A' ' 536' ' ' VAL . 58.6 t -129.92 127.54 63.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 580' ' ' ASP . . . . . 0.444 ' C ' HG23 ' A' ' 581' ' ' ILE . 28.7 t70 -80.15 150.0 30.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 581' ' ' ILE . . . . . 0.867 HD11 HG23 ' A' ' 610' ' ' THR . 39.9 pt -153.99 51.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -54.4 -18.68 10.52 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.85 45.27 2.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 0.776 . . . . 0.0 109.974 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 584' ' ' ALA . . . . . 0.831 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -163.49 141.2 7.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 32.9 p -110.26 0.45 18.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 110.007 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -149.13 138.43 21.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.978 HD12 ' O ' ' A' ' 552' ' ' ARG . 2.1 tp -137.1 130.95 31.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . 0.444 ' HA ' ' O ' ' A' ' 606' ' ' TYR . 1.7 pm0 -97.76 142.3 29.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 589' ' ' ALA . . . . . 0.581 ' HB1' HD11 ' A' ' 549' ' ' ILE . . . -138.79 139.18 38.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.427 ' C ' ' CD1' ' A' ' 591' ' ' PHE . . . -120.59 163.99 17.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 591' ' ' PHE . . . . . 0.809 ' CZ ' ' CD1' ' A' ' 615' ' ' TYR . 0.4 OUTLIER -123.57 127.81 48.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 592' ' ' ASN . . . . . 0.422 ' HB3' ' CD2' ' A' ' 598' ' ' TRP . 5.4 p30 -155.61 135.75 12.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . 0.431 ' OD2' ' CZ ' ' A' ' 544' ' ' PHE . 0.5 OUTLIER -71.61 -17.78 62.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 100.61 -9.86 58.95 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.52 1.137 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -94.94 41.28 1.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 0.776 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 29.8 m120 63.28 23.22 13.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 597' ' ' ASN . . . . . 0.412 ' O ' ' HA ' ' A' ' 592' ' ' ASN . 0.7 OUTLIER -112.29 91.06 3.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 109.273 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 598' ' ' TRP . . . . . 0.422 ' CD2' ' HB3' ' A' ' 592' ' ' ASN . 19.6 m95 -104.19 152.52 22.06 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.979 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 606' ' ' TYR . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 608' ' ' PHE . 34.3 m-85 -130.28 162.29 29.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.992 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 5.1 mp -115.95 124.33 50.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 608' ' ' PHE . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 606' ' ' TYR . 7.8 m-85 -122.53 147.13 46.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 42.5 t -111.4 164.62 12.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.998 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 610' ' ' THR . . . . . 0.867 HG23 HD11 ' A' ' 581' ' ' ILE . 32.4 p -48.38 157.84 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 110.333 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 117.67 -157.35 15.17 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.432 1.082 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 612' ' ' THR . . . . . . . . . . . . . 2.4 m -104.59 128.3 52.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 0.74 . . . . 0.0 110.38 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 67.7 p -142.62 157.94 44.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.979 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . 0.547 HG23 ' CB ' ' A' ' 539' ' ' TYR . 2.3 m -133.51 113.0 11.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.417 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 615' ' ' TYR . . . . . 0.809 ' CD1' ' CZ ' ' A' ' 591' ' ' PHE . 0.0 OUTLIER -97.16 115.22 27.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 89.5 m -116.7 110.72 41.98 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.359 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . 0.524 ' HD3' ' CE1' ' A' ' 615' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.197 0 O-C-N 124.473 1.775 . . . . 0.0 110.986 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 9.4 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 626' ' ' ILE . . . . . 0.519 HG23 ' HA ' ' A' ' 615' ' ' TYR . 0.1 OUTLIER -120.94 126.86 75.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -111.27 122.66 48.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.309 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.71 148.07 37.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.437 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 112.46 143.76 9.03 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.467 1.104 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -59.68 128.36 86.3 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 631' ' ' PRO . . . . . 0.571 ' HG2' ' CD2' ' A' ' 539' ' ' TYR . 18.5 Cg_endo -74.96 162.97 36.33 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.532 1.807 . . . . 0.0 111.018 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 80.5 p . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.997 179.953 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 534' ' ' ASN . . . . . 0.421 ' O ' ' HA ' ' A' ' 580' ' ' ASP . 1.3 m-20 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 535' ' ' LYS . . . . . 0.453 ' HB3' ' CG2' ' A' ' 578' ' ' THR . 39.9 mtmt -145.38 160.9 40.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . 0.704 HG12 ' O ' ' A' ' 579' ' ' VAL . 6.3 p -128.81 134.88 63.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 21.7 m -101.55 124.14 46.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.381 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 538' ' ' VAL . . . . . 0.469 ' HB ' HD12 ' A' ' 577' ' ' ILE . 1.4 t -126.98 127.12 69.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 539' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -111.83 125.79 54.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 540' ' ' TYR . . . . . 0.926 ' HB3' ' HB3' ' A' ' 575' ' ' ALA . 5.4 t80 -107.68 140.55 40.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 111.009 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 541' ' ' LYS . . . . . 0.525 ' O ' ' CE1' ' A' ' 540' ' ' TYR . 12.3 tttt -96.11 134.03 39.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 542' ' ' LYS . . . . . 0.518 ' CG ' ' O ' ' A' ' 544' ' ' PHE . 21.3 ttmt -97.96 109.8 22.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 543' ' ' GLY . . . . . 0.489 ' HA3' ' O ' ' A' ' 541' ' ' LYS . . . 92.23 176.28 42.05 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 0.085 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . 0.518 ' O ' ' CG ' ' A' ' 542' ' ' LYS . 72.0 m-85 -50.24 -174.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 0.753 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 545' ' ' ASN . . . . . 0.484 ' H ' ' ND2' ' A' ' 545' ' ' ASN . 1.5 p30 -72.86 -56.15 5.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 78.5 p -177.76 76.61 0.23 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.043 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 141.74 26.98 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.503 1.791 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 548' ' ' TYR . . . . . 0.501 ' CZ ' ' HB2' ' A' ' 565' ' ' LYS . 7.7 m-85 -79.74 142.75 35.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . 0.938 HD11 ' CE2' ' A' ' 551' ' ' TYR . 0.0 OUTLIER -117.48 140.21 41.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.345 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -124.47 120.28 31.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.613 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 551' ' ' TYR . . . . . 0.938 ' CE2' HD11 ' A' ' 549' ' ' ILE . 0.1 OUTLIER -134.3 160.71 37.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 111.0 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 552' ' ' ARG . . . . . 0.76 ' C ' HD12 ' A' ' 587' ' ' LEU . 0.0 OUTLIER -145.8 164.05 27.79 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 553' ' ' PRO . . . . . 0.476 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.5 Cg_endo -74.93 160.39 40.41 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.534 1.808 . . . . 0.0 111.014 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -35.56 -67.29 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -137.1 83.45 0.26 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.121 . . . . 0.0 110.947 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -142.61 -92.87 0.18 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 557' ' ' SER . . . . . 0.492 ' O ' ' HB2' ' A' ' 552' ' ' ARG . 37.6 t -162.53 169.25 20.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 0.745 . . . . 0.0 109.993 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 558' ' ' TRP . . . . . 0.523 ' CD2' ' HB3' ' A' ' 552' ' ' ARG . 76.0 m95 -100.05 143.64 30.02 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 559' ' ' THR . . . . . 0.54 HG22 ' H ' ' A' ' 560' ' ' ALA . 93.0 m -71.22 175.45 5.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 560' ' ' ALA . . . . . 0.54 ' H ' HG22 ' A' ' 559' ' ' THR . . . -68.1 108.01 2.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 561' ' ' ALA . . . . . 0.509 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -66.47 133.99 94.42 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 562' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 561' ' ' ALA . 18.4 Cg_endo -74.92 146.85 87.81 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 121.047 -2.48 . . . . 0.0 111.001 -0.11 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 563' ' ' GLY . . . . . 0.482 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -37.37 -97.83 0.01 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.454 1.096 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 564' ' ' VAL . . . . . 0.486 HG23 ' CE1' ' A' ' 551' ' ' TYR . 1.4 t -136.88 158.02 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.455 0.738 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 565' ' ' LYS . . . . . 0.501 ' HB2' ' CZ ' ' A' ' 548' ' ' TYR . 1.0 OUTLIER -94.89 111.65 23.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 566' ' ' MET . . . . . 0.543 ' CE ' HG23 ' A' ' 577' ' ' ILE . 0.1 OUTLIER -35.87 129.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . 0.444 ' O ' ' O ' ' A' ' 576' ' ' LYS . 0.0 OUTLIER -102.52 124.8 48.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.276 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.94 150.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.518 ' HB2' ' HB3' ' A' ' 576' ' ' LYS . . . -88.27 -139.63 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -131.73 5.81 4.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 571' ' ' ILE . . . . . 0.41 HG22 ' N ' ' A' ' 572' ' ' SER . 23.4 mt -81.27 -87.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 572' ' ' SER . . . . . 0.41 ' N ' HG22 ' A' ' 571' ' ' ILE . 0.3 OUTLIER 171.63 94.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.977 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 91.27 8.26 64.64 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -103.44 159.37 15.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.476 0.751 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 575' ' ' ALA . . . . . 0.926 ' HB3' ' HB3' ' A' ' 540' ' ' TYR . . . -116.3 154.89 29.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 576' ' ' LYS . . . . . 0.518 ' HB3' ' HB2' ' A' ' 569' ' ' ALA . 8.0 ptmt -153.67 134.39 13.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.243 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 577' ' ' ILE . . . . . 1.039 ' O ' HD13 ' A' ' 577' ' ' ILE . 0.0 OUTLIER -144.07 147.33 19.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 578' ' ' THR . . . . . 0.534 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 99.5 m -118.72 139.24 51.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.349 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . 0.704 ' O ' HG12 ' A' ' 536' ' ' VAL . 85.2 t -131.93 135.17 59.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 580' ' ' ASP . . . . . 0.421 ' HA ' ' O ' ' A' ' 534' ' ' ASN . 6.1 t70 -92.31 148.34 22.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 581' ' ' ILE . . . . . 1.029 HD11 ' CG2' ' A' ' 610' ' ' THR . 1.1 pt -112.44 -21.41 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . 38.6 88.66 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 70.12 59.98 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 0.747 . . . . 0.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 584' ' ' ALA . . . . . 0.985 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -164.24 145.83 8.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.18 6.35 16.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.959 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -151.36 138.98 19.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.317 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.76 HD12 ' C ' ' A' ' 552' ' ' ARG . 0.0 OUTLIER -146.95 137.91 23.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . 0.45 ' O ' ' HA ' ' A' ' 551' ' ' TYR . 3.1 pm0 -93.26 143.76 25.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 0.0 110.34 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 589' ' ' ALA . . . . . 0.56 ' HB3' ' CE2' ' A' ' 608' ' ' PHE . . . -138.88 146.99 41.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -133.3 162.75 30.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 591' ' ' PHE . . . . . 0.808 ' CE1' ' CD1' ' A' ' 615' ' ' TYR . 1.0 OUTLIER -124.0 138.22 54.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 111.036 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 592' ' ' ASN . . . . . 0.589 ' OD1' ' CE3' ' A' ' 598' ' ' TRP . 0.9 OUTLIER -150.27 155.84 40.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 29.4 p-10 -82.72 -29.44 29.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . -172.6 -52.1 0.04 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 14.7 t30 168.96 69.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 176.63 -44.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -100.16 83.67 2.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 598' ' ' TRP . . . . . 0.589 ' CE3' ' OD1' ' A' ' 592' ' ' ASN . 33.4 m95 -93.7 127.61 39.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.559 1.162 . . . . 0.0 108.014 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.336 179.982 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 606' ' ' TYR . . . . . 0.589 ' HB2' ' CZ ' ' A' ' 608' ' ' PHE . 79.7 m-85 -124.42 163.22 22.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.56 1.163 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . 0.77 HD23 ' N ' ' A' ' 607' ' ' LEU . 0.1 OUTLIER -108.55 130.77 55.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 608' ' ' PHE . . . . . 0.589 ' CZ ' ' HB2' ' A' ' 606' ' ' TYR . 40.5 m-85 -128.58 144.51 51.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.147 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 43.5 t -112.83 169.59 8.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.113 . . . . 0.0 110.026 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 610' ' ' THR . . . . . 1.029 ' CG2' HD11 ' A' ' 581' ' ' ILE . 51.2 p -58.27 165.83 1.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.418 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 114.49 -126.45 7.28 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.519 1.137 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 612' ' ' THR . . . . . 0.704 HG21 ' HB2' ' A' ' 630' ' ' ALA . 1.5 m -126.78 134.37 50.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 0.785 . . . . 0.0 110.407 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.32 157.75 44.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.011 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . 0.495 ' O ' ' CG2' ' A' ' 626' ' ' ILE . 84.8 m -132.64 131.36 41.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.436 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 615' ' ' TYR . . . . . 0.808 ' CD1' ' CE1' ' A' ' 591' ' ' PHE . 0.2 OUTLIER -109.51 116.45 31.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.082 . . . . 0.0 111.0 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 52.4 m -120.15 89.91 43.76 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 110.396 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . 0.577 ' HG3' ' CD2' ' A' ' 591' ' ' PHE . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.198 0 O-C-N 124.484 1.781 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 626' ' ' ILE . . . . . 0.495 ' CG2' ' O ' ' A' ' 614' ' ' THR . 0.1 OUTLIER -121.89 134.25 65.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.01 121.7 41.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.78 148.77 36.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.435 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 106.63 140.74 9.92 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.704 ' HB2' HG21 ' A' ' 612' ' ' THR . . . -60.6 119.37 43.15 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.458 0.74 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 167.22 27.55 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.531 1.806 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.969 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 534' ' ' ASN . . . . . 0.47 ' O ' ' HG3' ' A' ' 535' ' ' LYS . 1.9 m-20 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 535' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' A' ' 534' ' ' ASN . 5.1 mtpp -139.76 156.13 46.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . 0.743 HG22 ' O ' ' A' ' 579' ' ' VAL . 2.6 m -125.04 119.24 55.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 3.9 m -101.25 122.78 44.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.394 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 538' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 576' ' ' LYS . 1.4 t -127.06 128.63 70.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 539' ' ' TYR . . . . . 0.409 ' CD2' ' HG2' ' A' ' 631' ' ' PRO . 7.3 m-85 -104.8 131.06 52.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 540' ' ' TYR . . . . . 0.643 ' CD1' ' CE2' ' A' ' 591' ' ' PHE . 81.2 t80 -115.27 138.73 50.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -88.7 113.85 24.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 542' ' ' LYS . . . . . 0.467 ' HA ' ' HA3' ' A' ' 543' ' ' GLY . 7.4 ttpt -93.65 139.44 30.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 543' ' ' GLY . . . . . 0.467 ' HA3' ' HA ' ' A' ' 542' ' ' LYS . . . 155.83 -134.03 3.96 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.453 1.096 . . . . 0.0 110.997 0.04 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -118.48 -75.82 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.55 -50.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . 0.44 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 0.4 OUTLIER -168.35 62.58 0.54 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.042 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 547' ' ' PRO . . . . . 0.44 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.3 Cg_endo -75.03 148.82 35.67 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.452 1.764 . . . . 0.0 110.949 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 548' ' ' TYR . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 565' ' ' LYS . 2.1 m-85 -104.03 160.91 14.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 111.003 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . 0.928 HD11 ' HB1' ' A' ' 589' ' ' ALA . 0.2 OUTLIER -128.8 142.74 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 550' ' ' HIS . . . . . 0.433 ' CD2' ' HB2' ' A' ' 561' ' ' ALA . 1.0 OUTLIER -124.09 116.43 22.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.557 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 551' ' ' TYR . . . . . 0.915 ' CE2' HD13 ' A' ' 577' ' ' ILE . 0.2 OUTLIER -126.47 160.77 29.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.933 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 552' ' ' ARG . . . . . 0.603 ' HD3' ' CD1' ' A' ' 558' ' ' TRP . 0.3 OUTLIER -145.02 151.06 47.81 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.248 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 553' ' ' PRO . . . . . 0.487 ' O ' ' C ' ' A' ' 554' ' ' ALA . 18.3 Cg_endo -75.0 154.04 42.19 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.479 1.778 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . 0.487 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -32.53 -73.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -124.23 86.28 0.37 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.537 1.148 . . . . 0.0 111.025 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -146.96 -91.05 0.1 OUTLIER Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 557' ' ' SER . . . . . 0.485 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 29.5 t -167.85 -178.86 3.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 0.0 109.979 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 558' ' ' TRP . . . . . 0.603 ' CD1' ' HD3' ' A' ' 552' ' ' ARG . 64.9 m95 -109.95 114.84 28.71 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 559' ' ' THR . . . . . 0.467 HG22 ' H ' ' A' ' 560' ' ' ALA . 8.7 m -47.21 173.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.41 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 560' ' ' ALA . . . . . 0.467 ' H ' HG22 ' A' ' 559' ' ' THR . . . -71.61 107.51 4.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 561' ' ' ALA . . . . . 0.472 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -69.29 134.66 89.06 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 562' ' ' PRO . . . . . 0.521 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.2 Cg_endo -75.0 149.71 94.28 Favored 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 120.998 -2.501 . . . . 0.0 110.98 0.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 563' ' ' GLY . . . . . 0.521 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -44.8 -105.81 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.467 1.105 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 564' ' ' VAL . . . . . 0.497 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.2 t -136.83 158.17 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 0.759 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 565' ' ' LYS . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 548' ' ' TYR . 0.6 OUTLIER -82.99 117.93 23.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 566' ' ' MET . . . . . 0.588 ' HG2' HG21 ' A' ' 549' ' ' ILE . 0.7 OUTLIER -33.43 148.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 111.013 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . 0.462 ' O ' ' O ' ' A' ' 576' ' ' LYS . 0.6 OUTLIER -109.57 111.85 23.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 567' ' ' GLN . 0.0 OUTLIER -38.2 146.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -90.48 -145.69 0.18 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -130.29 6.01 4.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 571' ' ' ILE . . . . . 0.583 HG21 ' CB ' ' A' ' 632' ' ' SER . 80.7 mt -78.95 -81.14 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 167.49 99.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.013 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 82.06 8.93 85.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.52 1.137 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -104.56 154.59 19.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.773 . . . . 0.0 110.987 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 575' ' ' ALA . . . . . 0.532 ' HB1' ' HB3' ' A' ' 566' ' ' MET . . . -115.8 156.52 25.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 576' ' ' LYS . . . . . 0.462 ' O ' ' O ' ' A' ' 567' ' ' GLN . 2.9 ptmt -152.85 146.87 25.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 577' ' ' ILE . . . . . 0.915 HD13 ' CE2' ' A' ' 551' ' ' TYR . 0.8 OUTLIER -137.54 151.62 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 578' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 3.9 m -128.73 128.74 44.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.429 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . 0.743 ' O ' HG22 ' A' ' 536' ' ' VAL . 22.6 t -130.78 136.52 58.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 580' ' ' ASP . . . . . 0.492 ' O ' ' CG2' ' A' ' 581' ' ' ILE . 13.2 t70 -79.79 150.29 30.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 581' ' ' ILE . . . . . 0.803 ' HB ' ' HB3' ' A' ' 584' ' ' ALA . 34.7 pt -156.14 50.94 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 582' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 581' ' ' ILE . . . -32.7 -78.22 0.03 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.454 1.096 . . . . 0.0 110.971 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.81 -30.33 40.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 109.975 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 584' ' ' ALA . . . . . 0.803 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -60.94 136.57 58.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.256 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 80.7 p -115.46 -2.66 12.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.035 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -151.53 138.03 18.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.338 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.725 HD11 HG11 ' A' ' 579' ' ' VAL . 6.0 tt -138.6 134.74 34.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 109.258 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . 0.586 ' N ' HD23 ' A' ' 587' ' ' LEU . 0.9 OUTLIER -100.73 145.77 28.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 589' ' ' ALA . . . . . 0.928 ' HB1' HD11 ' A' ' 549' ' ' ILE . . . -140.09 141.02 36.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.444 ' HB2' ' OD1' ' A' ' 605' ' ' ASN . . . -122.17 162.33 21.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 591' ' ' PHE . . . . . 0.802 ' CE1' ' CE1' ' A' ' 615' ' ' TYR . 12.9 m-85 -129.97 127.37 39.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 592' ' ' ASN . . . . . 0.414 ' HA ' ' O ' ' A' ' 597' ' ' ASN . 2.3 p30 -149.59 138.21 20.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . 0.426 ' CG ' ' CB ' ' A' ' 597' ' ' ASN . 42.8 p-10 -51.92 -32.53 33.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.078 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 114.47 8.37 16.68 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.487 1.117 . . . . 0.0 110.967 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 -124.27 -94.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -121.18 -1.04 9.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 597' ' ' ASN . . . . . 0.426 ' CB ' ' CG ' ' A' ' 593' ' ' ASP . 2.4 t30 -92.04 92.64 8.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 55.7 m95 -117.38 135.06 54.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 108.041 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.975 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 605' ' ' ASN . . . . . 0.444 ' OD1' ' HB2' ' A' ' 590' ' ' ALA . 15.2 m-80 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 606' ' ' TYR . . . . . 0.617 ' HB2' ' CZ ' ' A' ' 608' ' ' PHE . 96.9 m-85 -108.12 162.8 13.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 1.4 mp -115.03 120.23 39.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 608' ' ' PHE . . . . . 0.617 ' CZ ' ' HB2' ' A' ' 606' ' ' TYR . 9.0 m-85 -123.34 146.85 47.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 111.024 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 22.9 t -111.45 171.47 7.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.968 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 610' ' ' THR . . . . . 0.747 HG23 HD11 ' A' ' 581' ' ' ILE . 44.2 p -43.56 166.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.385 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 105.52 -164.68 14.02 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.513 1.133 . . . . 0.0 111.052 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 612' ' ' THR . . . . . 0.435 HG21 ' CA ' ' A' ' 630' ' ' ALA . 14.1 m -103.27 132.57 49.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.765 . . . . 0.0 110.383 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 14.5 m -139.38 157.23 46.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.991 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . 0.501 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 7.0 m -133.69 114.72 13.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.408 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 615' ' ' TYR . . . . . 0.802 ' CE1' ' CE1' ' A' ' 591' ' ' PHE . 29.0 t80 -96.66 117.49 31.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 111.037 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 73.6 m -115.51 117.45 40.51 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.377 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . 0.452 ' HG3' ' CE1' ' A' ' 540' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.128 0 O-C-N 124.524 1.802 . . . . 0.0 110.972 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 19.7 p . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 626' ' ' ILE . . . . . 0.55 HG23 ' HA ' ' A' ' 615' ' ' TYR . 0.2 OUTLIER -121.02 128.11 76.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.14 124.64 51.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.87 148.41 38.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.455 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 105.12 143.55 12.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.435 ' CA ' HG21 ' A' ' 612' ' ' THR . . . -59.23 120.38 47.19 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.538 0.787 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 631' ' ' PRO . . . . . 0.484 ' HG3' ' CG2' ' A' ' 614' ' ' THR . 18.4 Cg_endo -74.98 162.1 37.72 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.484 1.781 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 632' ' ' SER . . . . . 0.583 ' CB ' HG21 ' A' ' 571' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.018 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 534' ' ' ASN . . . . . 0.621 ' HB3' HG21 ' A' ' 610' ' ' THR . 1.3 m-20 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 535' ' ' LYS . . . . . 0.577 ' HB3' HG22 ' A' ' 578' ' ' THR . 1.9 mptt -144.48 145.26 31.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . 0.644 HG13 ' HA ' ' A' ' 610' ' ' THR . 0.2 OUTLIER -114.6 121.63 67.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 11.2 m -101.44 123.32 45.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.404 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 538' ' ' VAL . . . . . 0.547 HG13 ' HB2' ' A' ' 613' ' ' SER . 2.1 t -125.3 131.44 72.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 539' ' ' TYR . . . . . 0.429 ' HA ' ' O ' ' A' ' 575' ' ' ALA . 2.3 m-85 -107.11 118.98 38.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 540' ' ' TYR . . . . . 0.59 ' CD2' ' CZ ' ' A' ' 591' ' ' PHE . 42.6 t80 -113.08 139.11 48.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 7.0 ttpp -86.57 113.21 22.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 542' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -82.32 139.04 34.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 157.08 -131.32 2.89 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 0.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -122.35 -77.74 0.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 0.743 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -155.51 -51.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.244 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . 0.437 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 2.2 m -169.94 62.9 0.45 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.026 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 547' ' ' PRO . . . . . 0.437 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.2 Cg_endo -74.93 159.06 42.05 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.501 1.79 . . . . 0.0 110.964 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 548' ' ' TYR . . . . . 0.565 ' CE1' ' HB2' ' A' ' 565' ' ' LYS . 2.1 m-85 -118.43 147.4 43.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 549' ' ' ILE . . . . . 0.615 HG12 ' CD2' ' A' ' 551' ' ' TYR . 0.3 OUTLIER -117.13 143.77 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.281 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 550' ' ' HIS . . . . . 0.465 ' NE2' ' HB2' ' A' ' 561' ' ' ALA . 0.8 OUTLIER -129.77 118.7 22.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.573 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 551' ' ' TYR . . . . . 0.615 ' CD2' HG12 ' A' ' 549' ' ' ILE . 0.5 OUTLIER -128.95 160.87 31.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 552' ' ' ARG . . . . . 0.568 ' HD3' ' CE2' ' A' ' 558' ' ' TRP . 6.8 ptt-85 -141.02 173.59 4.74 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 553' ' ' PRO . . . . . 0.602 ' O ' ' C ' ' A' ' 554' ' ' ALA . 18.4 Cg_endo -74.99 160.44 40.19 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.546 1.814 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 554' ' ' ALA . . . . . 0.602 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -22.52 -54.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 555' ' ' GLY . . . . . 0.526 ' HA2' HH21 ' A' ' 552' ' ' ARG . . . -174.08 80.07 0.08 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.128 . . . . 0.0 111.048 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -138.06 -95.29 0.35 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.53 146.51 47.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 0.766 . . . . 0.0 110.024 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 558' ' ' TRP . . . . . 0.568 ' CE2' ' HD3' ' A' ' 552' ' ' ARG . 22.3 m95 -86.64 120.48 28.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 108.02 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 559' ' ' THR . . . . . 0.422 ' O ' ' CE1' ' A' ' 550' ' ' HIS . 4.8 m -43.17 167.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.381 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 560' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -65.81 107.69 1.89 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 561' ' ' ALA . . . . . 0.49 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -75.64 134.0 73.06 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 562' ' ' PRO . . . . . 0.49 ' C ' ' HA ' ' A' ' 561' ' ' ALA . 18.3 Cg_endo -75.05 148.2 91.08 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 120.967 -2.514 . . . . 0.0 110.993 0.014 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 563' ' ' GLY . . . . . 0.486 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -45.81 -104.15 0.01 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 564' ' ' VAL . . . . . 0.542 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 2.0 t -135.88 157.92 38.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 0.772 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 565' ' ' LYS . . . . . 0.565 ' HB2' ' CE1' ' A' ' 548' ' ' TYR . 0.0 OUTLIER -90.29 117.7 29.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 566' ' ' MET . . . . . 0.535 ' HE1' ' HB2' ' A' ' 540' ' ' TYR . 3.6 mtp -36.27 127.44 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . 0.459 ' O ' ' O ' ' A' ' 576' ' ' LYS . 2.0 mt-30 -100.16 118.23 36.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 568' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 567' ' ' GLN . 0.2 OUTLIER -39.19 150.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.46 ' HA ' ' CD ' ' A' ' 576' ' ' LYS . . . -89.15 -146.02 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -126.57 6.37 6.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.266 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 571' ' ' ILE . . . . . 0.481 HG22 ' N ' ' A' ' 572' ' ' SER . 4.3 mm -81.39 -93.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 572' ' ' SER . . . . . 0.481 ' N ' HG22 ' A' ' 571' ' ' ILE . 0.2 OUTLIER 177.47 93.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.996 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 91.9 9.68 62.19 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -103.51 158.8 16.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 0.787 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 575' ' ' ALA . . . . . 0.429 ' O ' ' HA ' ' A' ' 539' ' ' TYR . . . -117.16 154.88 30.31 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 576' ' ' LYS . . . . . 0.46 ' CD ' ' HA ' ' A' ' 569' ' ' ALA . 0.0 OUTLIER -150.85 132.49 14.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 577' ' ' ILE . . . . . 1.067 ' O ' HD13 ' A' ' 577' ' ' ILE . 0.0 OUTLIER -133.97 148.3 30.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 578' ' ' THR . . . . . 0.577 HG22 ' HB3' ' A' ' 535' ' ' LYS . 3.9 m -120.7 135.64 55.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.397 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 579' ' ' VAL . . . . . 0.798 HG11 HD11 ' A' ' 587' ' ' LEU . 4.8 t -128.96 122.71 57.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 580' ' ' ASP . . . . . 0.442 ' HA ' ' O ' ' A' ' 534' ' ' ASN . 0.0 OUTLIER -87.32 129.56 34.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 581' ' ' ILE . . . . . 0.948 ' HB ' ' HB3' ' A' ' 584' ' ' ALA . 18.6 pt -107.11 -46.57 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 582' ' ' GLY . . . . . 0.537 ' O ' ' CB ' ' A' ' 583' ' ' SER . . . 49.51 92.47 0.01 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.462 1.101 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 583' ' ' SER . . . . . 0.537 ' CB ' ' O ' ' A' ' 582' ' ' GLY . 0.4 OUTLIER 88.52 41.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 109.968 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 584' ' ' ALA . . . . . 0.948 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -154.41 145.52 22.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 78.7 p -113.66 0.5 14.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 109.976 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 586' ' ' GLN . . . . . 0.469 ' O ' ' CA ' ' A' ' 554' ' ' ALA . 91.3 mt-30 -151.48 138.95 19.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 587' ' ' LEU . . . . . 0.798 HD11 HG11 ' A' ' 579' ' ' VAL . 0.0 OUTLIER -141.21 142.83 33.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 0.0 109.258 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . 0.439 ' CD ' ' CB ' ' A' ' 605' ' ' ASN . 6.6 tt0 -92.14 146.98 23.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 589' ' ' ALA . . . . . 0.649 ' HB3' ' CE2' ' A' ' 608' ' ' PHE . . . -142.85 138.69 30.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 590' ' ' ALA . . . . . 0.576 ' HB2' HD21 ' A' ' 605' ' ' ASN . . . -128.29 162.84 26.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 591' ' ' PHE . . . . . 0.59 ' CZ ' ' CD2' ' A' ' 540' ' ' TYR . 1.3 m-85 -121.7 127.42 50.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 592' ' ' ASN . . . . . 0.518 ' HB3' ' CE3' ' A' ' 598' ' ' TRP . 11.2 p30 -142.95 136.04 28.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 593' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 597' ' ' ASN . 20.2 p-10 -61.0 -28.15 68.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 102.05 2.65 51.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 595' ' ' ASN . . . . . 0.443 ' O ' ' HB2' ' A' ' 596' ' ' ASN . 1.4 t-20 -111.64 -32.95 6.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 0.74 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 596' ' ' ASN . . . . . 0.443 ' HB2' ' O ' ' A' ' 595' ' ' ASN . 7.7 t-20 172.11 -37.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 597' ' ' ASN . . . . . 0.461 ' N ' ' OD1' ' A' ' 593' ' ' ASP . 15.6 t-20 -48.3 117.47 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 598' ' ' TRP . . . . . 0.518 ' CE3' ' HB3' ' A' ' 592' ' ' ASN . 57.0 m95 -122.28 131.37 53.88 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.335 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 605' ' ' ASN . . . . . 0.576 HD21 ' HB2' ' A' ' 590' ' ' ALA . 4.8 t-20 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 606' ' ' TYR . . . . . 0.675 ' CD2' HD11 ' A' ' 626' ' ' ILE . 10.7 m-85 -124.17 154.15 40.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 6.4 mp -103.96 121.2 42.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 608' ' ' PHE . . . . . 0.649 ' CE2' ' HB3' ' A' ' 589' ' ' ALA . 32.5 m-85 -122.16 142.72 50.11 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 110.958 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 609' ' ' SER . . . . . 0.568 ' O ' HG13 ' A' ' 536' ' ' VAL . 4.8 t -112.53 166.39 11.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.982 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 610' ' ' THR . . . . . 0.831 ' CG2' HD11 ' A' ' 581' ' ' ILE . 40.2 p -56.07 160.37 2.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.405 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 118.18 -126.87 7.05 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 612' ' ' THR . . . . . 0.638 HG21 ' HB2' ' A' ' 630' ' ' ALA . 2.5 m -128.4 134.71 48.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 0.78 . . . . 0.0 110.405 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 613' ' ' SER . . . . . 0.547 ' HB2' HG13 ' A' ' 538' ' ' VAL . 8.0 m -137.63 158.12 45.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 110.027 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . 0.543 HG23 ' HG3' ' A' ' 631' ' ' PRO . 3.7 m -133.0 115.63 15.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.439 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 615' ' ' TYR . . . . . 0.505 ' HA ' HG23 ' A' ' 626' ' ' ILE . 0.1 OUTLIER -97.86 117.16 31.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 111.02 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 18.6 m -117.61 116.45 36.75 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.402 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . 0.588 ' HG3' ' CE2' ' A' ' 540' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.535 1.808 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 8.2 p . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 626' ' ' ILE . . . . . 0.675 HD11 ' CD2' ' A' ' 606' ' ' TYR . 0.1 OUTLIER -121.16 127.84 75.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.82 123.77 51.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.22 149.12 37.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 110.338 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 107.99 139.88 9.14 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.638 ' HB2' HG21 ' A' ' 612' ' ' THR . . . -60.07 120.84 54.31 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.555 0.797 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 631' ' ' PRO . . . . . 0.543 ' HG3' HG23 ' A' ' 614' ' ' THR . 18.2 Cg_endo -75.02 160.74 39.72 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.523 1.802 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.993 179.972 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . 60.6 140.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 63.1 m -94.73 -75.56 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 110.437 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . 0.716 HG22 ' O ' ' A' ' 533' ' ' THR . 0.7 OUTLIER -166.49 89.94 0.4 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 110.428 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 534' ' ' ASN . . . . . 0.559 ' HB3' HG21 ' A' ' 610' ' ' THR . 1.2 m-20 -103.38 179.05 4.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 19.7 mttt -144.59 151.46 39.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . 0.727 HG22 ' O ' ' A' ' 579' ' ' VAL . 0.4 OUTLIER -119.97 117.2 52.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.344 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 5.9 m -101.49 122.12 43.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.411 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . 0.489 HG12 ' HB2' ' A' ' 615' ' ' TYR . 3.0 t -126.67 132.78 69.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 539' ' ' TYR . . . . . 0.57 ' CD2' ' HG2' ' A' ' 631' ' ' PRO . 1.2 m-85 -107.16 122.87 47.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 111.044 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 540' ' ' TYR . . . . . 0.815 ' CD1' ' CZ ' ' A' ' 591' ' ' PHE . 41.1 t80 -108.52 139.33 43.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -91.99 114.87 27.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 542' ' ' LYS . . . . . 0.416 ' HG3' ' CA ' ' A' ' 543' ' ' GLY . 5.6 ttpt -80.41 138.67 36.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 543' ' ' GLY . . . . . 0.416 ' CA ' ' HG3' ' A' ' 542' ' ' LYS . . . 155.57 -130.29 2.74 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.544 1.152 . . . . 0.0 111.01 -0.018 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -130.53 -86.09 0.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 0.79 . . . . 0.0 110.979 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -147.42 -52.24 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . 0.474 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 27.6 t -164.65 61.19 0.83 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 547' ' ' PRO . . . . . 0.474 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.4 Cg_endo -74.98 149.64 37.09 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.489 1.783 . . . . 0.0 111.033 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 548' ' ' TYR . . . . . 0.467 ' CE2' ' HB2' ' A' ' 565' ' ' LYS . 3.2 m-85 -110.38 151.85 26.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 111.038 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . 0.612 HG12 ' CD2' ' A' ' 551' ' ' TYR . 0.9 OUTLIER -117.61 143.01 29.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 550' ' ' HIS . . . . . 0.465 ' CE1' ' O ' ' A' ' 559' ' ' THR . 0.8 OUTLIER -128.64 117.18 20.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.622 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 551' ' ' TYR . . . . . 0.612 ' CD2' HG12 ' A' ' 549' ' ' ILE . 0.3 OUTLIER -132.64 161.87 32.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 552' ' ' ARG . . . . . 0.575 ' HG2' ' CH2' ' A' ' 558' ' ' TRP . 9.1 ptt180 -146.39 159.31 45.44 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.3 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 553' ' ' PRO . . . . . 0.715 ' O ' ' C ' ' A' ' 554' ' ' ALA . 18.3 Cg_endo -75.04 141.16 26.2 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.498 1.789 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . 0.715 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -4.51 83.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.419 1.075 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 553' ' ' PRO . . . 32.55 68.83 0.15 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.555 1.16 . . . . 0.0 111.045 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 553' ' ' PRO . . . -123.09 -92.41 1.06 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 557' ' ' SER . . . . . 0.421 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 0.0 OUTLIER -115.63 138.36 51.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 0.741 . . . . 0.0 109.988 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 558' ' ' TRP . . . . . 0.575 ' CH2' ' HG2' ' A' ' 552' ' ' ARG . 71.3 m95 -95.33 102.99 14.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 107.983 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . 0.465 ' O ' ' CE1' ' A' ' 550' ' ' HIS . 14.8 m -41.12 164.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.38 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 560' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -57.36 110.07 0.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 561' ' ' ALA . . . . . 0.503 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -74.23 132.97 78.53 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 562' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 561' ' ' ALA . 18.3 Cg_endo -74.95 144.46 81.05 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 121.022 -2.491 . . . . 0.0 111.013 -0.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . 0.478 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -38.78 -98.59 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.446 1.091 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 564' ' ' VAL . . . . . 0.531 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.8 t -136.52 158.33 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 0.784 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . 0.483 ' O ' ' C ' ' A' ' 566' ' ' MET . 0.1 OUTLIER -86.85 115.1 24.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 566' ' ' MET . . . . . 0.639 ' HE3' ' HB2' ' A' ' 540' ' ' TYR . 2.4 mmt -30.39 125.3 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 568' ' ' ASP . 6.8 mt-30 -90.19 111.99 23.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.249 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 567' ' ' GLN . 0.1 OUTLIER -36.83 145.22 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -79.35 -144.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -130.01 5.01 4.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.304 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 571' ' ' ILE . . . . . . . . . . . . . 43.6 mt -83.87 -86.68 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 171.53 95.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.043 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 95.34 8.25 58.8 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.547 1.155 . . . . 0.0 111.056 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -104.55 160.45 14.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 0.765 . . . . 0.0 110.96 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 575' ' ' ALA . . . . . 0.558 ' HB1' ' HB3' ' A' ' 566' ' ' MET . . . -121.69 155.88 34.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 576' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 567' ' ' GLN . 7.4 ptmt -155.22 145.84 22.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 577' ' ' ILE . . . . . 1.033 ' O ' HD13 ' A' ' 577' ' ' ILE . 0.0 OUTLIER -141.63 147.99 21.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 578' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 5.6 m -125.23 132.01 53.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.377 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . 0.727 ' O ' HG22 ' A' ' 536' ' ' VAL . 3.0 t -129.41 128.52 66.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 580' ' ' ASP . . . . . 0.439 ' HA ' ' O ' ' A' ' 534' ' ' ASN . 8.7 t70 -80.28 150.05 30.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 581' ' ' ILE . . . . . 0.892 HD11 HG23 ' A' ' 610' ' ' THR . 40.2 pt -149.77 57.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . 0.504 ' CA ' ' HA ' ' A' ' 533' ' ' THR . . . -68.34 57.58 0.44 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.567 1.167 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 583' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 582' ' ' GLY . 0.6 OUTLIER 159.03 -25.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 0.792 . . . . 0.0 109.981 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 584' ' ' ALA . . . . . 0.694 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -96.58 140.55 31.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.79 -4.29 21.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.984 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 586' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' ' 608' ' ' PHE . 62.8 mt-30 -151.53 138.51 19.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.569 HD22 HG21 ' A' ' 536' ' ' VAL . 0.1 OUTLIER -135.39 142.01 45.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . 0.47 ' HA ' ' O ' ' A' ' 606' ' ' TYR . 3.3 pm0 -105.31 142.66 34.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.285 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 589' ' ' ALA . . . . . 0.561 ' CB ' ' HB3' ' A' ' 551' ' ' TYR . . . -135.25 146.55 48.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.487 ' HB2' HD21 ' A' ' 605' ' ' ASN . . . -125.81 163.75 22.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 591' ' ' PHE . . . . . 0.815 ' CZ ' ' CD1' ' A' ' 540' ' ' TYR . 0.8 OUTLIER -125.18 127.12 46.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 111.045 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -143.94 135.48 25.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 593' ' ' ASP . 0.0 OUTLIER -68.9 -16.0 63.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 92.17 16.69 49.64 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.125 . . . . 0.0 110.995 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -141.24 67.66 1.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 0.771 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 4.4 m120 48.72 26.25 1.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -116.32 77.0 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 60.3 m95 -92.68 152.92 19.27 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -139.99 65.84 1.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 600' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 604' ' ' LYS . 1.5 m -52.28 -96.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.962 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 601' ' ' ASN . . . . . 0.508 ' HB3' ' CZ ' ' A' ' 606' ' ' TYR . 0.5 OUTLIER -172.26 -96.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -128.55 2.08 5.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 603' ' ' THR . . . . . 0.601 HG22 ' N ' ' A' ' 604' ' ' LYS . 0.9 OUTLIER -160.93 -73.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.4 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . 0.601 ' N ' HG22 ' A' ' 603' ' ' THR . 11.6 ttmt -129.41 -74.88 0.55 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 605' ' ' ASN . . . . . 0.487 HD21 ' HB2' ' A' ' 590' ' ' ALA . 29.5 m120 -157.53 -174.14 4.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 606' ' ' TYR . . . . . 0.614 ' HB2' ' CZ ' ' A' ' 608' ' ' PHE . 30.8 m-85 -109.72 162.6 14.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.966 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 6.6 mt -104.98 121.91 44.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 608' ' ' PHE . . . . . 0.614 ' CZ ' ' HB2' ' A' ' 606' ' ' TYR . 7.2 m-85 -117.48 144.43 45.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 15.6 t -112.53 166.89 10.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.032 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 610' ' ' THR . . . . . 0.892 HG23 HD11 ' A' ' 581' ' ' ILE . 34.1 p -53.62 162.47 0.84 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.403 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 113.73 -143.81 18.01 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 612' ' ' THR . . . . . 0.606 HG21 ' HB2' ' A' ' 630' ' ' ALA . 2.0 m -114.19 126.73 55.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 0.78 . . . . 0.0 110.399 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 17.9 m -139.49 158.29 44.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.044 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . 0.504 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 6.6 m -133.12 122.47 24.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.414 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 615' ' ' TYR . . . . . 0.489 ' HB2' HG12 ' A' ' 538' ' ' VAL . 0.3 OUTLIER -97.57 122.12 40.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 111.007 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 54.9 m -131.52 126.7 21.28 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.377 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -37.38 2.05 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.523 1.802 . . . . 0.0 111.014 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . 69.2 165.16 4.11 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 620' ' ' ASN . 0.1 OUTLIER -127.94 -42.57 1.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.773 . . . . 0.0 110.007 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 620' ' ' ASN . . . . . 0.41 ' O ' ' O ' ' A' ' 619' ' ' SER . 1.6 m120 -61.85 -138.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . -83.97 38.16 2.84 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 622' ' ' ALA . . . . . . . . . . . . . . . -121.52 104.19 9.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 0.76 . . . . 0.0 109.337 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . 0.424 ' O ' ' O ' ' A' ' 624' ' ' GLY . . . -99.58 97.69 8.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 624' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 623' ' ' ALA . . . 53.35 107.99 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 45.1 p -142.85 147.83 36.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 0.784 . . . . 0.0 110.377 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 626' ' ' ILE . . . . . 0.565 HG12 ' CE1' ' A' ' 608' ' ' PHE . 0.1 OUTLIER -123.68 129.62 74.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.1 122.27 47.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.54 147.2 39.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.406 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 110.1 140.55 8.68 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.606 ' HB2' HG21 ' A' ' 612' ' ' THR . . . -59.84 118.52 32.84 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.492 0.76 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . 0.57 ' HG2' ' CD2' ' A' ' 539' ' ' TYR . 18.3 Cg_endo -75.06 156.9 42.75 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 27.0 p -144.14 82.86 1.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.416 1.073 . . . . 0.0 110.019 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 633' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.51 1.132 . . . . 0.0 110.994 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . -141.66 -158.94 7.73 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 73.1 p -48.73 143.77 4.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 0.773 . . . . 0.0 110.385 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.69 123.06 16.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.448 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 534' ' ' ASN . . . . . 0.791 ' HB3' HG21 ' A' ' 610' ' ' THR . 1.2 m-20 -98.0 175.28 6.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 579' ' ' VAL . 0.1 OUTLIER -145.64 154.74 42.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . 0.713 HG12 ' HA ' ' A' ' 610' ' ' THR . 32.7 m -121.43 113.32 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 21.0 m -103.28 121.34 42.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.356 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . 0.645 HG13 ' HB2' ' A' ' 613' ' ' SER . 2.2 t -126.65 130.84 71.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 539' ' ' TYR . . . . . 0.412 ' HA ' ' O ' ' A' ' 575' ' ' ALA . 2.6 m-85 -107.56 124.59 50.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 111.044 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 540' ' ' TYR . . . . . 0.598 ' CD2' ' SD ' ' A' ' 566' ' ' MET . 54.4 t80 -113.85 139.28 49.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 110.942 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 62.5 tttt -85.68 112.9 21.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 542' ' ' LYS . . . . . 0.416 ' HA ' ' HA3' ' A' ' 543' ' ' GLY . 1.8 ttpt -84.1 138.06 33.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 543' ' ' GLY . . . . . 0.416 ' HA3' ' HA ' ' A' ' 542' ' ' LYS . . . 156.84 -132.92 3.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.446 1.091 . . . . 0.0 110.977 0.048 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -120.29 -82.69 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -154.16 -48.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.246 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . 0.479 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 33.3 p -164.36 61.04 0.85 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.012 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 547' ' ' PRO . . . . . 0.479 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.3 Cg_endo -74.98 147.61 34.27 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.482 1.78 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 548' ' ' TYR . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 565' ' ' LYS . 8.1 m-85 -113.68 156.07 24.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . 0.8 HD13 ' O ' ' A' ' 564' ' ' VAL . 0.2 OUTLIER -127.48 140.19 49.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -121.81 114.07 20.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.578 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 551' ' ' TYR . . . . . 0.701 ' HB2' HD21 ' A' ' 587' ' ' LEU . 0.2 OUTLIER -125.95 160.93 28.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 552' ' ' ARG . . . . . 0.52 ' NE ' ' NE1' ' A' ' 558' ' ' TRP . 0.0 OUTLIER -148.47 147.49 25.54 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.31 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 553' ' ' PRO . . . . . 0.481 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.4 Cg_endo -74.96 147.72 34.47 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.537 1.809 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 586' ' ' GLN . . . -78.1 63.58 3.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 142.96 39.45 0.07 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . 0.427 ' HA3' ' HG2' ' A' ' 553' ' ' PRO . . . -142.84 -93.37 0.19 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 557' ' ' SER . . . . . 0.481 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 48.4 t -178.41 -174.32 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 0.0 109.987 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 558' ' ' TRP . . . . . 0.52 ' NE1' ' NE ' ' A' ' 552' ' ' ARG . 56.7 m95 -100.55 134.92 42.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 108.009 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . 0.557 HG22 ' H ' ' A' ' 560' ' ' ALA . 87.8 m -72.45 175.61 6.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.382 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 560' ' ' ALA . . . . . 0.557 ' H ' HG22 ' A' ' 559' ' ' THR . . . -67.89 107.24 2.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 561' ' ' ALA . . . . . 0.511 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -70.41 134.07 86.94 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 562' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 561' ' ' ALA . 18.3 Cg_endo -75.01 147.51 89.44 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 120.981 -2.508 . . . . 0.0 110.991 0.009 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . 0.491 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -39.66 -99.48 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 564' ' ' VAL . . . . . 0.8 ' O ' HD13 ' A' ' 549' ' ' ILE . 1.7 t -137.9 159.16 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.434 0.726 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 548' ' ' TYR . 9.8 tptm -87.74 113.72 23.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 566' ' ' MET . . . . . 0.744 ' HB3' ' HB1' ' A' ' 575' ' ' ALA . 3.0 mtp -31.75 119.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 576' ' ' LYS . 2.8 mm-40 -87.0 118.25 26.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 110.313 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . 0.416 ' HA ' ' O ' ' A' ' 574' ' ' TYR . 0.0 OUTLIER -50.27 133.14 24.23 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.505 ' HB2' ' HB3' ' A' ' 576' ' ' LYS . . . -71.51 -144.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -122.48 4.56 9.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 571' ' ' ILE . . . . . 0.522 ' O ' ' CB ' ' A' ' 572' ' ' SER . 2.2 mm -85.01 -22.92 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 571' ' ' ILE . 1.3 t 86.75 110.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 94.15 -6.15 72.14 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . 0.416 ' O ' ' HA ' ' A' ' 568' ' ' ASP . 0.2 OUTLIER -105.52 161.02 14.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 0.0 111.004 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 575' ' ' ALA . . . . . 0.744 ' HB1' ' HB3' ' A' ' 566' ' ' MET . . . -115.5 154.58 29.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 576' ' ' LYS . . . . . 0.505 ' HB3' ' HB2' ' A' ' 569' ' ' ALA . 1.2 ptmm? -154.52 133.98 12.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 577' ' ' ILE . . . . . 1.03 ' O ' HD13 ' A' ' 577' ' ' ILE . 0.0 OUTLIER -131.62 146.64 33.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 578' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 4.3 m -128.69 128.54 44.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.378 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . 0.516 ' HB ' HG22 ' A' ' 536' ' ' VAL . 1.8 t -128.94 127.91 66.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 580' ' ' ASP . . . . . 0.421 ' HA ' ' O ' ' A' ' 534' ' ' ASN . 6.0 t70 -81.85 150.51 27.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.133 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 581' ' ' ILE . . . . . 0.796 HD11 HG23 ' A' ' 610' ' ' THR . 35.6 pt -153.02 61.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . 0.554 ' O ' ' CB ' ' A' ' 583' ' ' SER . . . -68.55 52.17 0.47 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 583' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' A' ' 582' ' ' GLY . 1.4 m 154.65 41.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.779 . . . . 0.0 109.934 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 584' ' ' ALA . . . . . 0.763 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -162.08 143.48 10.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.343 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.36 2.1 15.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 586' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' A' ' 554' ' ' ALA . 54.8 mt-30 -146.47 139.11 25.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.701 HD21 ' HB2' ' A' ' 551' ' ' TYR . 6.9 tt -139.62 133.32 30.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.257 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . 0.589 ' O ' HD23 ' A' ' 587' ' ' LEU . 4.8 tt0 -90.15 145.73 24.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 589' ' ' ALA . . . . . 0.47 ' O ' ' ND2' ' A' ' 605' ' ' ASN . . . -143.3 135.78 27.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.801 ' HB2' ' OD1' ' A' ' 605' ' ' ASN . . . -123.17 157.7 32.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 591' ' ' PHE . . . . . 0.786 ' CE1' ' CD1' ' A' ' 615' ' ' TYR . 7.4 m-85 -123.87 127.58 48.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 111.03 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -150.19 136.03 18.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . 0.472 ' OD2' ' N ' ' A' ' 593' ' ' ASP . 0.5 OUTLIER -68.49 -16.21 63.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 90.61 22.45 33.96 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -131.56 39.25 3.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 0.745 . . . . 0.0 109.344 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 69.73 22.08 6.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -114.65 77.35 1.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -98.66 134.8 41.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 108.007 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -134.84 91.41 2.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.13 . . . . 0.0 109.254 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 600' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.51 -70.25 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 110.021 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 601' ' ' ASN . . . . . 0.437 ' N ' ' OD1' ' A' ' 601' ' ' ASN . 8.9 p-10 167.46 -51.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 602' ' ' ASN . . . . . 0.407 ' O ' ' HB ' ' A' ' 603' ' ' THR . 26.6 t30 -143.38 -54.7 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 603' ' ' THR . . . . . 0.407 ' HB ' ' O ' ' A' ' 602' ' ' ASN . 0.0 OUTLIER 175.0 -34.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.413 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . 0.458 ' HD3' HD23 ' A' ' 607' ' ' LEU . 2.5 tmtt? -91.91 24.0 3.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 605' ' ' ASN . . . . . 0.801 ' OD1' ' HB2' ' A' ' 590' ' ' ALA . 0.2 OUTLIER 37.77 -151.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 606' ' ' TYR . . . . . 0.64 ' CD2' HD11 ' A' ' 626' ' ' ILE . 4.7 m-85 -119.44 132.18 55.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . 0.512 HD22 ' C ' ' A' ' 606' ' ' TYR . 2.6 mm? -107.65 120.47 42.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 608' ' ' PHE . . . . . 1.127 ' CE1' HD12 ' A' ' 626' ' ' ILE . 11.2 m-85 -132.69 159.29 40.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 111.031 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 2.7 t -105.04 174.11 6.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.985 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 610' ' ' THR . . . . . 0.796 HG23 HD11 ' A' ' 581' ' ' ILE . 76.6 p -53.75 176.13 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.388 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 113.12 -133.09 11.07 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 612' ' ' THR . . . . . 0.412 HG21 ' HB2' ' A' ' 630' ' ' ALA . 11.9 m -130.29 129.02 42.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.76 . . . . 0.0 110.417 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 613' ' ' SER . . . . . 0.645 ' HB2' HG13 ' A' ' 538' ' ' VAL . 0.7 OUTLIER -140.12 158.38 44.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.163 . . . . 0.0 109.974 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . 0.483 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 58.6 m -134.16 125.04 27.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.452 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 615' ' ' TYR . . . . . 0.786 ' CD1' ' CE1' ' A' ' 591' ' ' PHE . 0.2 OUTLIER -97.82 123.34 41.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.971 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 17.6 m -112.54 123.77 33.31 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.351 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . 0.577 ' HG3' ' CE1' ' A' ' 540' ' ' TYR . 18.3 Cg_endo -75.0 -166.49 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.531 1.806 . . . . 0.0 110.972 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . -113.8 -154.87 11.37 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.531 1.144 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 16.7 t -119.87 -41.45 2.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.764 . . . . 0.0 110.027 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 620' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 621' ' ' GLY . 6.3 m-20 -132.84 85.16 2.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 621' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 620' ' ' ASN . . . 36.43 45.16 0.93 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.475 1.11 . . . . 0.0 111.053 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 622' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 623' ' ' ALA . . . -123.27 105.29 9.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 0.73 . . . . 0.0 109.34 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 622' ' ' ALA . . . -39.24 147.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 624' ' ' GLY . . . . . 0.406 ' O ' HG23 ' A' ' 625' ' ' THR . . . -106.71 -130.9 6.62 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 624' ' ' GLY . 2.6 p -151.8 167.88 26.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 110.435 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 626' ' ' ILE . . . . . 1.127 HD12 ' CE1' ' A' ' 608' ' ' PHE . 0.6 OUTLIER -115.54 128.63 72.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.66 126.55 55.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 110.269 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.57 147.2 39.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.427 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 110.59 141.57 8.88 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.412 ' HB2' HG21 ' A' ' 612' ' ' THR . . . -59.37 121.85 59.54 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 163.99 34.19 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.51 1.795 . . . . 0.0 110.945 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 7.0 t -152.56 81.04 1.23 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.012 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 633' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 -179.956 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . 93.64 -136.26 12.99 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . 0.44 ' HA ' ' CG ' ' A' ' 580' ' ' ASP . 6.7 p -43.95 133.4 5.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.538 0.787 . . . . 0.0 110.368 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 96.9 m -157.28 -60.94 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 110.418 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 534' ' ' ASN . . . . . 0.418 ' O ' ' HA ' ' A' ' 580' ' ' ASP . 1.8 m-20 -93.7 168.24 11.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 579' ' ' VAL . 17.6 mttt -147.27 156.72 43.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . 0.449 HG13 ' O ' ' A' ' 609' ' ' SER . 1.7 t -130.2 126.61 61.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 1.8 m -103.37 122.2 44.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 110.428 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 576' ' ' LYS . 0.3 OUTLIER -123.5 123.46 67.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 539' ' ' TYR . . . . . 0.494 ' CD2' ' HG2' ' A' ' 631' ' ' PRO . 0.8 OUTLIER -101.44 138.96 37.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 540' ' ' TYR . . . . . 0.629 ' HB2' ' HE2' ' A' ' 566' ' ' MET . 1.6 t80 -129.74 138.14 50.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 541' ' ' LYS . . . . . 0.473 ' O ' ' CE1' ' A' ' 540' ' ' TYR . 65.7 tttt -89.94 113.07 24.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 542' ' ' LYS . . . . . 0.504 ' HA ' ' HA3' ' A' ' 543' ' ' GLY . 3.1 ttpt -86.59 140.34 29.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 543' ' ' GLY . . . . . 0.504 ' HA3' ' HA ' ' A' ' 542' ' ' LYS . . . 147.78 -134.34 5.08 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 -0.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 544' ' ' PHE . 16.4 m-85 -119.02 -123.53 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -120.65 -46.57 2.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . 0.451 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 17.8 t -145.28 62.35 8.78 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.037 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 547' ' ' PRO . . . . . 0.451 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.1 Cg_endo -75.08 146.14 32.02 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.533 1.807 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -123.62 154.66 38.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . 0.644 HG21 ' SD ' ' A' ' 566' ' ' MET . 0.2 OUTLIER -127.18 142.73 42.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 550' ' ' HIS . . . . . 0.557 ' CD2' ' HB2' ' A' ' 561' ' ' ALA . 0.8 OUTLIER -125.36 117.2 23.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.634 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 551' ' ' TYR . . . . . 0.892 ' CE2' HD13 ' A' ' 577' ' ' ILE . 0.3 OUTLIER -127.37 161.21 29.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.965 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 552' ' ' ARG . . . . . 0.508 ' HG3' ' N ' ' A' ' 553' ' ' PRO . 0.0 OUTLIER -143.05 152.49 58.49 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.262 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 553' ' ' PRO . . . . . 0.52 ' O ' ' C ' ' A' ' 554' ' ' ALA . 18.2 Cg_endo -75.0 153.13 41.52 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.516 1.798 . . . . 0.0 111.033 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . 0.635 ' HB2' ' O ' ' A' ' 586' ' ' GLN . . . -30.06 -74.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -126.29 86.1 0.34 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.144 . . . . 0.0 111.036 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -145.67 -91.4 0.11 Allowed Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 557' ' ' SER . . . . . 0.493 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 28.9 t -165.6 -179.63 5.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 0.732 . . . . 0.0 109.997 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 558' ' ' TRP . . . . . 0.449 ' CD1' ' HD3' ' A' ' 552' ' ' ARG . 63.3 m95 -107.2 112.41 25.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 107.992 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . 0.418 ' O ' ' CE1' ' A' ' 550' ' ' HIS . 8.9 m -45.31 171.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.387 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 560' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -68.06 107.62 2.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 561' ' ' ALA . . . . . 0.557 ' HB2' ' CD2' ' A' ' 550' ' ' HIS . . . -71.21 134.25 85.17 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 562' ' ' PRO . . . . . 0.519 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.4 Cg_endo -75.0 148.16 91.05 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.014 -0.034 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . 0.519 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -43.36 -104.07 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 564' ' ' VAL . . . . . 0.494 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.5 t -137.07 158.66 36.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.785 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 566' ' ' MET . 13.2 tmtt? -82.53 120.65 25.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 566' ' ' MET . . . . . 0.644 ' SD ' HG21 ' A' ' 549' ' ' ILE . 0.0 OUTLIER -35.78 131.25 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 568' ' ' ASP . 0.6 OUTLIER -91.44 110.23 21.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.173 . . . . 0.0 110.313 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 567' ' ' GLN . 0.0 OUTLIER -37.2 146.23 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -79.78 -142.04 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -131.07 7.01 4.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 571' ' ' ILE . . . . . 0.418 HG22 ' N ' ' A' ' 572' ' ' SER . 4.5 mt -89.08 -92.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . 0.418 ' N ' HG22 ' A' ' 571' ' ' ILE . 0.2 OUTLIER 174.62 99.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.999 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 95.65 5.3 60.15 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.491 1.119 . . . . 0.0 111.041 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -104.59 159.25 15.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 110.985 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 575' ' ' ALA . . . . . 0.609 ' HB1' ' HG2' ' A' ' 566' ' ' MET . . . -123.54 156.49 35.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 576' ' ' LYS . . . . . 0.426 ' O ' ' O ' ' A' ' 567' ' ' GLN . 0.0 OUTLIER -154.05 156.17 36.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 577' ' ' ILE . . . . . 0.892 HD13 ' CE2' ' A' ' 551' ' ' TYR . 0.9 OUTLIER -143.45 151.31 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.266 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 578' ' ' THR . . . . . . . . . . . . . 3.9 m -129.06 125.62 37.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.367 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . 0.529 HG11 ' CD1' ' A' ' 587' ' ' LEU . 94.8 t -130.36 135.89 59.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 580' ' ' ASP . . . . . 0.501 ' O ' ' CG2' ' A' ' 581' ' ' ILE . 6.5 t70 -84.91 150.13 25.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 581' ' ' ILE . . . . . 0.937 ' HB ' ' HB3' ' A' ' 584' ' ' ALA . 24.2 pt -156.3 45.41 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -53.78 -19.96 11.63 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.35 35.98 4.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 109.945 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 584' ' ' ALA . . . . . 0.937 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -151.97 142.76 22.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.55 -4.49 14.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.994 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 586' ' ' GLN . . . . . 0.635 ' O ' ' HB2' ' A' ' 554' ' ' ALA . 3.2 mt-30 -151.43 139.15 19.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.315 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.529 ' CD1' HG11 ' A' ' 579' ' ' VAL . 0.1 OUTLIER -139.76 141.59 36.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -98.83 145.12 27.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 0.0 110.321 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 589' ' ' ALA . . . . . 0.432 ' O ' ' ND2' ' A' ' 605' ' ' ASN . . . -138.09 142.02 40.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.562 ' HB2' ' ND2' ' A' ' 605' ' ' ASN . . . -127.89 157.7 39.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 591' ' ' PHE . . . . . 0.489 ' CZ ' ' HE1' ' A' ' 566' ' ' MET . 7.3 m-85 -122.4 127.1 49.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 592' ' ' ASN . . . . . 0.409 ' HA ' ' O ' ' A' ' 597' ' ' ASN . 17.3 p30 -139.0 158.79 43.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 24.1 p-10 -82.71 -31.66 28.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 178.99 -47.8 0.09 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.566 1.166 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 10.9 t30 170.06 77.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 175.67 -37.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 597' ' ' ASN . . . . . 0.409 ' O ' ' HA ' ' A' ' 592' ' ' ASN . 17.5 m-20 -118.43 118.94 33.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 51.3 m95 -123.25 140.88 52.56 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 107.97 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -129.55 66.91 1.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 600' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.9 -74.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.015 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 601' ' ' ASN . . . . . . . . . . . . . 14.9 t30 170.73 -37.32 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 179.9 -49.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 603' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -177.95 -39.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 110.374 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.92 9.54 30.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 605' ' ' ASN . . . . . 0.562 ' ND2' ' HB2' ' A' ' 590' ' ' ALA . 4.0 t-20 40.07 -150.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 606' ' ' TYR . . . . . 0.62 ' CB ' ' CZ ' ' A' ' 608' ' ' PHE . 12.8 m-85 -111.39 160.9 16.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 4.8 mp -109.52 119.87 40.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 608' ' ' PHE . . . . . 0.62 ' CZ ' ' CB ' ' A' ' 606' ' ' TYR . 34.1 m-85 -125.05 141.35 52.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 111.044 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 609' ' ' SER . . . . . 0.449 ' O ' HG13 ' A' ' 536' ' ' VAL . 28.1 t -111.72 170.11 8.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.036 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 610' ' ' THR . . . . . 0.879 HG23 HD11 ' A' ' 581' ' ' ILE . 74.9 p -46.15 167.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.37 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 107.92 -150.74 16.95 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 612' ' ' THR . . . . . 0.507 HG21 ' HA ' ' A' ' 630' ' ' ALA . 17.6 m -114.71 135.54 54.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 0.753 . . . . 0.0 110.393 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.68 157.8 45.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . 0.525 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 3.6 m -133.63 112.4 11.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.378 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 615' ' ' TYR . . . . . 0.427 ' HA ' HG23 ' A' ' 626' ' ' ILE . 2.5 t80 -100.03 115.22 29.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 52.1 m -108.53 100.78 39.98 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.389 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 160.82 39.73 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.497 1.788 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . -80.0 -158.68 16.86 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.36 -50.32 1.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 0.78 . . . . 0.0 110.005 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 620' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -99.02 67.37 1.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . 39.32 50.29 2.92 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.534 1.146 . . . . 0.0 111.033 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 622' ' ' ALA . . . . . . . . . . . . . . . -123.08 104.68 9.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -40.1 151.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 624' ' ' GLY . . . . . . . . . . . . . . . -115.97 -132.69 5.11 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.535 1.147 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 6.2 p -151.21 164.85 35.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 0.754 . . . . 0.0 110.352 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 626' ' ' ILE . . . . . 0.525 ' HA ' ' O ' ' A' ' 614' ' ' THR . 0.2 OUTLIER -120.82 124.0 71.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.76 122.37 46.61 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.462 1.101 . . . . 0.0 110.26 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.67 147.03 37.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.395 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 111.59 139.9 8.0 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 111.029 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.507 ' HA ' HG21 ' A' ' 612' ' ' THR . . . -63.13 113.88 10.83 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . 0.494 ' HG2' ' CD2' ' A' ' 539' ' ' TYR . 18.4 Cg_endo -74.98 166.32 29.46 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.501 1.79 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 99.6 p -139.9 84.72 1.99 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.004 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 633' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . -167.54 66.19 0.19 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . 0.409 ' HB ' ' OD2' ' A' ' 580' ' ' ASP . 2.1 p -137.06 128.1 27.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 0.76 . . . . 0.0 110.364 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -168.84 -47.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.436 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 534' ' ' ASN . . . . . 0.445 ' O ' ' HA ' ' A' ' 580' ' ' ASP . 1.6 m-20 -99.27 178.94 4.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 579' ' ' VAL . 0.0 OUTLIER -145.69 156.4 43.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . 0.781 HG22 ' O ' ' A' ' 579' ' ' VAL . 13.3 m -125.02 119.27 55.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 16.3 m -100.39 121.87 42.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.345 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . 0.472 HG13 ' OG ' ' A' ' 613' ' ' SER . 1.6 t -124.89 127.76 72.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 539' ' ' TYR . . . . . 0.519 ' CD2' ' HG2' ' A' ' 631' ' ' PRO . 3.4 m-85 -107.92 130.2 55.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.965 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 540' ' ' TYR . . . . . 0.538 ' CE1' ' O ' ' A' ' 541' ' ' LYS . 1.2 t80 -125.53 138.22 53.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 541' ' ' LYS . . . . . 0.538 ' O ' ' CE1' ' A' ' 540' ' ' TYR . 12.5 tttt -89.55 114.11 25.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 542' ' ' LYS . . . . . 0.433 ' HA ' ' HA3' ' A' ' 543' ' ' GLY . 0.0 OUTLIER -103.42 143.89 32.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 543' ' ' GLY . . . . . 0.433 ' HA3' ' HA ' ' A' ' 542' ' ' LYS . . . 147.31 -119.85 1.17 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -0.009 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -106.71 -85.17 0.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 0.748 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -151.47 -51.58 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . 0.455 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 0.6 OUTLIER -166.98 62.06 0.64 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.989 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 547' ' ' PRO . . . . . 0.455 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.3 Cg_endo -74.99 145.03 30.98 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.505 1.792 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -95.76 161.53 13.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.958 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . 0.642 HD12 ' CG ' ' A' ' 566' ' ' MET . 0.1 OUTLIER -129.89 135.2 61.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 550' ' ' HIS . . . . . 0.632 ' CD2' ' HB2' ' A' ' 561' ' ' ALA . 0.8 OUTLIER -115.23 115.0 25.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 109.565 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 551' ' ' TYR . . . . . 0.804 ' CE2' HD13 ' A' ' 577' ' ' ILE . 0.1 OUTLIER -126.22 160.83 29.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 552' ' ' ARG . . . . . 0.504 ' NE ' ' NE1' ' A' ' 558' ' ' TRP . 0.0 OUTLIER -143.97 140.88 17.57 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.341 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 553' ' ' PRO . . . . . 0.485 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.3 Cg_endo -74.98 138.95 23.74 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.539 1.81 . . . . 0.0 111.014 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 586' ' ' GLN . . . -69.82 60.83 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 553' ' ' PRO . . . 147.73 39.3 0.04 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.54 1.15 . . . . 0.0 111.038 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . 0.43 ' HA3' ' HG2' ' A' ' 553' ' ' PRO . . . -145.35 -93.62 0.15 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 557' ' ' SER . . . . . 0.485 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 35.9 t -177.86 -173.62 0.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 0.737 . . . . 0.0 110.02 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 558' ' ' TRP . . . . . 0.504 ' NE1' ' NE ' ' A' ' 552' ' ' ARG . 52.6 m95 -99.58 112.64 24.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 108.038 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . 0.535 HG22 ' H ' ' A' ' 560' ' ' ALA . 18.8 m -48.52 175.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 560' ' ' ALA . . . . . 0.535 ' H ' HG22 ' A' ' 559' ' ' THR . . . -72.37 107.0 4.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 561' ' ' ALA . . . . . 0.632 ' HB2' ' CD2' ' A' ' 550' ' ' HIS . . . -71.04 134.56 85.41 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 562' ' ' PRO . . . . . 0.508 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.3 Cg_endo -74.96 150.15 94.99 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.055 -2.477 . . . . 0.0 111.001 -0.017 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . 0.508 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -46.65 -106.61 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.424 1.078 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 564' ' ' VAL . . . . . 0.475 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.1 t -136.83 158.12 36.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 0.761 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 566' ' ' MET . 0.4 OUTLIER -82.29 120.4 25.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 566' ' ' MET . . . . . 0.642 ' CG ' HD12 ' A' ' 549' ' ' ILE . 0.0 OUTLIER -37.57 141.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 111.025 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . 0.441 ' O ' ' O ' ' A' ' 576' ' ' LYS . 0.7 OUTLIER -104.53 119.44 38.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.307 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.79 148.58 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.474 ' HB1' ' CE2' ' A' ' 539' ' ' TYR . . . -89.29 -141.58 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -132.09 9.55 4.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 571' ' ' ILE . . . . . 0.443 ' O ' ' CB ' ' A' ' 572' ' ' SER . 72.4 mt -81.68 -82.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 571' ' ' ILE . 1.5 t 163.99 92.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.993 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 93.44 6.74 62.45 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.551 1.157 . . . . 0.0 110.985 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -103.84 160.37 14.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 0.784 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 575' ' ' ALA . . . . . 0.568 ' HB1' ' SD ' ' A' ' 566' ' ' MET . . . -120.81 156.42 31.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 576' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' A' ' 567' ' ' GLN . 2.3 ptmm? -152.42 154.59 35.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 577' ' ' ILE . . . . . 0.804 HD13 ' CE2' ' A' ' 551' ' ' TYR . 0.9 OUTLIER -143.42 152.02 16.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 578' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 5.5 m -129.33 127.68 41.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.426 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . 0.781 ' O ' HG22 ' A' ' 536' ' ' VAL . 2.7 t -130.38 135.38 60.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 580' ' ' ASP . . . . . 0.471 ' C ' HG23 ' A' ' 581' ' ' ILE . 25.3 t0 -79.15 150.74 31.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 581' ' ' ILE . . . . . 0.919 HD11 HG23 ' A' ' 610' ' ' THR . 40.2 pt -155.3 48.75 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -45.53 -57.24 5.94 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.45 28.66 5.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 0.0 110.027 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 584' ' ' ALA . . . . . 0.787 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -134.21 139.7 45.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 8.4 p -111.02 -4.16 15.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 110.001 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 586' ' ' GLN . . . . . 0.754 ' HB3' HD23 ' A' ' 607' ' ' LEU . 5.6 mt-30 -152.01 137.74 17.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.67 HD21 ' HB2' ' A' ' 551' ' ' TYR . 5.3 tt -135.03 127.78 31.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . 0.473 ' O ' ' HA ' ' A' ' 551' ' ' TYR . 5.4 pm0 -89.2 143.15 27.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.321 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 589' ' ' ALA . . . . . 0.528 ' CB ' ' HB3' ' A' ' 551' ' ' TYR . . . -141.73 138.0 32.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.609 ' HB1' ' HB3' ' A' ' 600' ' ' SER . . . -121.67 158.64 28.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 591' ' ' PHE . . . . . 0.798 ' CZ ' ' CD2' ' A' ' 615' ' ' TYR . 65.8 m-85 -118.64 128.45 54.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -153.39 135.71 14.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.82 -19.98 65.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 95.77 6.83 59.22 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.447 1.092 . . . . 0.0 110.96 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -131.17 63.21 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 109.333 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 49.94 50.15 18.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -142.97 71.77 1.35 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -95.55 142.07 28.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 107.971 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -127.27 19.5 6.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 600' ' ' SER . . . . . 0.609 ' HB3' ' HB1' ' A' ' 590' ' ' ALA . 60.7 p -66.45 -98.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.013 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 601' ' ' ASN . . . . . 0.491 ' O ' ' CB ' ' A' ' 602' ' ' ASN . 1.2 t30 -167.84 31.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 602' ' ' ASN . . . . . 0.491 ' CB ' ' O ' ' A' ' 601' ' ' ASN . 17.4 t30 81.99 -54.37 0.24 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 603' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 603' ' ' THR . 2.8 t -176.4 34.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.382 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 605' ' ' ASN . 0.0 OUTLIER -121.13 -39.04 2.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.178 . . . . 0.0 109.284 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 605' ' ' ASN . . . . . 0.429 ' O ' ' O ' ' A' ' 604' ' ' LYS . 0.0 OUTLIER 41.4 -163.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 606' ' ' TYR . . . . . 0.636 ' OH ' ' HB1' ' A' ' 623' ' ' ALA . 75.2 m-85 -130.31 142.56 50.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . 0.754 HD23 ' HB3' ' A' ' 586' ' ' GLN . 6.6 mp -99.22 130.76 45.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 608' ' ' PHE . . . . . 0.753 ' HE1' HD13 ' A' ' 626' ' ' ILE . 6.8 m-85 -121.76 144.99 48.48 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 110.971 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 609' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 610' ' ' THR . 42.8 t -110.29 163.84 13.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.977 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 610' ' ' THR . . . . . 0.919 HG23 HD11 ' A' ' 581' ' ' ILE . 35.1 p -38.81 158.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.383 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 112.68 -156.18 15.77 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.541 1.151 . . . . 0.0 111.005 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 612' ' ' THR . . . . . 0.605 HG21 ' HB2' ' A' ' 630' ' ' ALA . 2.1 m -116.16 124.48 50.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 0.743 . . . . 0.0 110.382 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 613' ' ' SER . . . . . 0.472 ' OG ' HG13 ' A' ' 538' ' ' VAL . 81.5 p -132.21 157.35 44.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.989 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . 0.451 ' CG2' ' HG3' ' A' ' 631' ' ' PRO . 5.8 m -134.14 114.51 13.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.404 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 615' ' ' TYR . . . . . 0.798 ' CD2' ' CZ ' ' A' ' 591' ' ' PHE . 54.5 t80 -97.92 113.6 25.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 60.5 m -113.69 102.23 54.59 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 110.404 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 176.11 10.36 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.531 1.806 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . -91.15 -156.13 32.39 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 91.1 p -135.58 35.08 2.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.784 . . . . 0.0 110.014 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 620' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 621' ' ' GLY . 18.0 t-20 178.42 64.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 621' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 620' ' ' ASN . . . 37.38 47.3 1.52 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 622' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 623' ' ' ALA . . . -123.6 104.98 9.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 0.778 . . . . 0.0 109.267 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . 0.636 ' HB1' ' OH ' ' A' ' 606' ' ' TYR . . . -38.8 119.95 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 624' ' ' GLY . . . . . 0.422 ' C ' ' CG2' ' A' ' 625' ' ' THR . . . -80.81 -128.36 0.83 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.458 1.098 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . 0.422 ' CG2' ' C ' ' A' ' 624' ' ' GLY . 42.1 p -151.54 162.64 40.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 0.747 . . . . 0.0 110.398 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 626' ' ' ILE . . . . . 0.753 HD13 ' HE1' ' A' ' 608' ' ' PHE . 0.0 OUTLIER -121.33 136.63 57.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.05 122.79 38.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.165 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.18 148.88 37.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.419 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 107.58 141.58 9.97 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.481 1.113 . . . . 0.0 111.04 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.605 ' HB2' HG21 ' A' ' 612' ' ' THR . . . -59.6 118.15 28.9 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.451 0.736 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . 0.519 ' HG2' ' CD2' ' A' ' 539' ' ' TYR . 18.2 Cg_endo -75.03 155.69 42.8 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.502 1.79 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.33 79.36 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.969 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 633' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.549 1.156 . . . . 0.0 111.0 -179.954 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 531' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 532' ' ' THR . . . -139.57 -144.84 4.61 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . 0.561 HG21 ' HB3' ' A' ' 580' ' ' ASP . 22.2 p 38.63 -159.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 0.0 110.374 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 5.1 m -154.35 -76.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.359 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 534' ' ' ASN . . . . . 0.865 ' HB3' HG21 ' A' ' 610' ' ' THR . 1.1 t-20 -70.11 171.49 9.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 579' ' ' VAL . 0.4 OUTLIER -146.05 158.92 43.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . 0.669 HG13 ' HA ' ' A' ' 610' ' ' THR . 0.5 OUTLIER -123.65 124.35 69.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 2.9 m -100.61 124.13 45.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.414 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 1.4 t -126.02 126.62 70.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.35 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 539' ' ' TYR . . . . . 0.666 ' HB3' HG23 ' A' ' 614' ' ' THR . 2.5 m-85 -110.55 128.94 55.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 540' ' ' TYR . . . . . 0.618 ' CE1' ' O ' ' A' ' 541' ' ' LYS . 3.0 t80 -119.54 138.98 52.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 541' ' ' LYS . . . . . 0.618 ' O ' ' CE1' ' A' ' 540' ' ' TYR . 9.6 tttp -93.77 132.02 38.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 542' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 543' ' ' GLY . 0.1 OUTLIER -80.62 137.66 36.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 543' ' ' GLY . . . . . 0.432 ' N ' ' HG3' ' A' ' 542' ' ' LYS . . . 154.42 -133.13 3.75 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 -0.003 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -152.02 -82.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 0.786 . . . . 0.0 111.042 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 545' ' ' ASN . . . . . 0.556 ' O ' ' CB ' ' A' ' 546' ' ' SER . 9.7 m-80 -147.82 24.63 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' A' ' 545' ' ' ASN . 1.2 m 90.13 72.16 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.992 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 149.52 36.55 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 548' ' ' TYR . . . . . 0.491 ' CE2' ' HB2' ' A' ' 565' ' ' LYS . 7.8 m-85 -91.6 156.93 17.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . 0.963 HG23 ' O ' ' A' ' 590' ' ' ALA . 3.7 mt -126.34 144.96 34.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 550' ' ' HIS . . . . . 0.435 ' CE1' ' HE3' ' A' ' 558' ' ' TRP . 2.9 t60 -129.33 116.36 18.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.593 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 551' ' ' TYR . . . . . 0.497 ' CD2' HG22 ' A' ' 549' ' ' ILE . 0.1 OUTLIER -125.73 159.19 32.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.959 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 552' ' ' ARG . . . . . 0.571 ' NE ' ' CD1' ' A' ' 558' ' ' TRP . 4.4 ttm180 -137.71 132.0 17.27 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 553' ' ' PRO . . . . . 0.568 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.2 Cg_endo -75.01 159.6 41.13 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.458 1.767 . . . . 0.0 110.96 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -45.22 -26.77 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . 0.418 ' N ' ' C ' ' A' ' 553' ' ' PRO . . . -60.28 -19.29 52.1 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.442 1.089 . . . . 0.0 111.039 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . 0.496 ' O ' ' NH2' ' A' ' 552' ' ' ARG . . . 82.13 40.87 9.86 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 557' ' ' SER . . . . . 0.568 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 0.0 OUTLIER -110.15 137.73 47.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 110.021 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 558' ' ' TRP . . . . . 0.571 ' CD1' ' NE ' ' A' ' 552' ' ' ARG . 92.5 m95 -120.37 102.54 8.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 108.026 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . 0.502 HG22 ' N ' ' A' ' 560' ' ' ALA . 32.3 m -45.12 171.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 110.375 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 560' ' ' ALA . . . . . 0.502 ' N ' HG22 ' A' ' 559' ' ' THR . . . -61.24 107.63 0.79 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 561' ' ' ALA . . . . . 0.487 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -64.07 132.28 95.24 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 562' ' ' PRO . . . . . 0.56 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.4 Cg_endo -75.0 145.22 83.34 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 120.989 -2.505 . . . . 0.0 111.016 -0.049 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . 0.56 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -32.06 -99.88 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 564' ' ' VAL . . . . . 0.425 ' HB ' ' OH ' ' A' ' 551' ' ' TYR . 1.3 t -137.82 157.6 32.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . 0.491 ' HB2' ' CE2' ' A' ' 548' ' ' TYR . 0.1 OUTLIER -89.71 107.1 18.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 566' ' ' MET . . . . . 0.899 ' CE ' HD12 ' A' ' 549' ' ' ILE . 0.0 OUTLIER -33.12 137.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.81 127.05 52.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.78 149.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.65 ' HB2' ' HB3' ' A' ' 576' ' ' LYS . . . -87.39 -136.91 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -132.28 7.48 4.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 571' ' ' ILE . . . . . . . . . . . . . 4.6 mm -84.04 -85.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 169.37 97.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.978 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 88.82 8.18 70.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.89 159.65 15.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 575' ' ' ALA . . . . . 0.531 ' HB1' ' HB3' ' A' ' 566' ' ' MET . . . -115.47 152.72 32.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 576' ' ' LYS . . . . . 0.65 ' HB3' ' HB2' ' A' ' 569' ' ' ALA . 0.2 OUTLIER -152.67 133.97 14.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 577' ' ' ILE . . . . . 0.96 HD12 ' N ' ' A' ' 578' ' ' THR . 0.2 OUTLIER -134.17 152.22 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 578' ' ' THR . . . . . 0.96 ' N ' HD12 ' A' ' 577' ' ' ILE . 30.1 m -126.45 136.08 52.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.376 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . 0.745 HG23 ' CD1' ' A' ' 577' ' ' ILE . 42.1 t -132.13 128.19 58.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 580' ' ' ASP . . . . . 0.561 ' HB3' HG21 ' A' ' 532' ' ' THR . 0.2 OUTLIER -86.29 148.86 25.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 581' ' ' ILE . . . . . 0.893 ' HB ' ' HB3' ' A' ' 584' ' ' ALA . 44.2 pt -157.53 50.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -54.06 -22.57 21.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.542 1.151 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.37 36.87 4.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 0.775 . . . . 0.0 110.024 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 584' ' ' ALA . . . . . 0.893 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -160.25 142.29 12.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.04 0.41 15.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.994 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -147.63 138.67 23.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 110.314 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.577 ' CD1' HG11 ' A' ' 579' ' ' VAL . 0.5 OUTLIER -144.22 130.25 19.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . 0.468 ' HA ' ' O ' ' A' ' 606' ' ' TYR . 2.0 pm0 -89.93 145.05 25.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 589' ' ' ALA . . . . . 0.499 ' HB3' ' HE2' ' A' ' 608' ' ' PHE . . . -134.9 149.34 50.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.963 ' O ' HG23 ' A' ' 549' ' ' ILE . . . -137.28 157.45 46.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 591' ' ' PHE . . . . . 0.733 ' CD2' ' CZ ' ' A' ' 615' ' ' TYR . 1.3 m-85 -122.75 127.99 49.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -148.13 136.25 21.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -25.92 64.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 95.98 33.51 6.3 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.466 1.104 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 44.8 p-10 -149.93 40.3 0.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 109.34 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 39.4 t30 72.59 34.53 1.22 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -129.9 69.22 1.43 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 13.8 m95 -90.96 149.76 21.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 108.024 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -127.41 49.26 2.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 600' ' ' SER . . . . . 0.514 ' O ' ' CB ' ' A' ' 601' ' ' ASN . 0.3 OUTLIER -89.19 17.91 5.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.045 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 601' ' ' ASN . . . . . 0.514 ' CB ' ' O ' ' A' ' 600' ' ' SER . 7.9 t-20 84.05 -55.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 167.67 -65.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 603' ' ' THR . . . . . . . . . . . . . 29.7 m -157.59 56.01 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 110.364 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' A' ' 605' ' ' ASN . 0.0 OUTLIER -177.71 73.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 605' ' ' ASN . . . . . 0.418 ' O ' ' O ' ' A' ' 604' ' ' LYS . 2.7 m120 -51.89 -175.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 606' ' ' TYR . . . . . 0.61 ' C ' HD23 ' A' ' 607' ' ' LEU . 97.2 m-85 -107.21 163.82 12.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . 0.63 HD23 ' N ' ' A' ' 607' ' ' LEU . 0.0 OUTLIER -115.2 122.39 45.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 608' ' ' PHE . . . . . 0.679 ' CE1' ' CD1' ' A' ' 626' ' ' ILE . 9.0 m-85 -126.21 146.01 50.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 609' ' ' SER . . . . . 0.492 ' O ' HG13 ' A' ' 536' ' ' VAL . 32.2 t -111.76 166.2 11.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.044 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 610' ' ' THR . . . . . 0.865 HG21 ' HB3' ' A' ' 534' ' ' ASN . 40.8 p -50.34 166.01 0.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 110.433 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 115.88 -155.0 16.54 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.106 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 612' ' ' THR . . . . . 0.619 HG21 ' CA ' ' A' ' 630' ' ' ALA . 36.7 m -112.19 127.64 56.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 0.753 . . . . 0.0 110.384 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 1.4 t -142.52 157.77 44.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . 0.666 HG23 ' HB3' ' A' ' 539' ' ' TYR . 20.6 m -133.51 118.43 18.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.143 . . . . 0.0 110.407 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 615' ' ' TYR . . . . . 0.733 ' CZ ' ' CD2' ' A' ' 591' ' ' PHE . 0.1 OUTLIER -99.02 113.46 25.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.972 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 52.6 m -110.53 108.14 58.27 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.351 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 168.28 25.17 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . -110.64 -155.79 14.53 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 2.8 m -128.25 151.48 49.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 0.75 . . . . 0.0 109.989 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 620' ' ' ASN . . . . . . . . . . . . . 4.4 m120 60.96 59.34 2.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . 39.06 55.16 2.39 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 622' ' ' ALA . . . . . . . . . . . . . . . -121.83 104.67 9.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 0.728 . . . . 0.0 109.269 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -41.99 149.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 624' ' ' GLY . . . . . . . . . . . . . . . -108.73 -135.09 7.35 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 21.4 p -151.61 159.36 44.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 110.399 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 626' ' ' ILE . . . . . 0.679 ' CD1' ' CE1' ' A' ' 608' ' ' PHE . 0.2 OUTLIER -114.56 132.09 64.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.352 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -115.81 121.44 42.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.29 146.67 36.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 110.406 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 109.25 140.94 9.11 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.619 ' CA ' HG21 ' A' ' 612' ' ' THR . . . -59.66 120.31 48.15 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . 0.553 ' HG2' ' CD2' ' A' ' 539' ' ' TYR . 18.4 Cg_endo -75.04 154.77 42.52 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.521 1.801 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 23.6 t -149.82 76.11 1.28 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.011 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 633' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.52 1.138 . . . . 0.0 110.977 -179.978 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . -80.2 128.22 8.37 Favored Glycine 0 CA--C 1.529 0.969 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . 0.406 HG23 ' H ' ' A' ' 532' ' ' THR . 44.7 p -56.73 -174.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.439 0.729 . . . . 0.0 110.378 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 16.1 m -161.75 -43.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.39 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 534' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -104.39 169.38 8.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . 0.572 ' HD2' HG21 ' A' ' 578' ' ' THR . 15.3 mtmt -147.0 142.88 27.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 579' ' ' VAL . 2.2 t -116.29 131.05 69.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 80.0 m -101.24 122.02 42.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.396 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -125.47 124.39 66.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 539' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -112.88 124.53 52.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 111.052 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 540' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -121.56 139.7 53.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 3.0 tttm -92.73 112.89 25.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 542' ' ' LYS . . . . . 0.45 ' HA ' ' HA3' ' A' ' 543' ' ' GLY . 7.4 ttpt -86.01 143.38 28.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 543' ' ' GLY . . . . . 0.45 ' HA3' ' HA ' ' A' ' 542' ' ' LYS . . . 140.97 -125.66 2.88 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.521 1.138 . . . . 0.0 110.955 -0.104 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . 0.544 ' CD1' ' HG3' ' A' ' 547' ' ' PRO . 4.1 m-85 -116.36 -125.15 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.749 . . . . 0.0 111.035 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -106.72 -51.43 2.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . 0.427 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 41.2 m -171.32 63.6 0.38 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.023 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 547' ' ' PRO . . . . . 0.544 ' HG3' ' CD1' ' A' ' 544' ' ' PHE . 18.5 Cg_endo -74.97 146.42 32.76 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 548' ' ' TYR . . . . . 0.56 ' CE2' ' HG3' ' A' ' 565' ' ' LYS . 1.8 m-85 -95.98 161.1 14.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . 0.654 HD11 ' HB1' ' A' ' 589' ' ' ALA . 0.8 OUTLIER -124.28 142.68 40.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.26 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 550' ' ' HIS . . . . . 0.411 ' CE1' ' HE3' ' A' ' 558' ' ' TRP . 2.2 t60 -130.34 117.35 19.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.613 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 551' ' ' TYR . . . . . 0.804 ' HB2' HD21 ' A' ' 587' ' ' LEU . 0.1 OUTLIER -120.32 160.06 23.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 552' ' ' ARG . . . . . 0.574 ' HD3' ' CD1' ' A' ' 558' ' ' TRP . 1.2 ttp85 -133.49 135.33 24.98 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.324 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 553' ' ' PRO . . . . . 0.508 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.2 Cg_endo -74.98 153.16 41.7 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.484 1.781 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . 0.402 ' HB2' ' O ' ' A' ' 586' ' ' GLN . . . -48.38 -24.29 1.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.246 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -53.05 -20.02 8.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.465 1.103 . . . . 0.0 111.031 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 89.1 21.98 40.01 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 557' ' ' SER . . . . . 0.545 ' O ' ' CG ' ' A' ' 552' ' ' ARG . 0.1 OUTLIER -103.75 169.62 8.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 0.786 . . . . 0.0 110.006 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 558' ' ' TRP . . . . . 0.574 ' CD1' ' HD3' ' A' ' 552' ' ' ARG . 87.9 m95 -135.95 117.95 15.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 107.992 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . 0.428 HG22 ' N ' ' A' ' 560' ' ' ALA . 84.8 m -59.37 169.96 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.419 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 560' ' ' ALA . . . . . 0.428 ' N ' HG22 ' A' ' 559' ' ' THR . . . -56.89 108.47 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 561' ' ' ALA . . . . . 0.483 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -78.18 132.59 66.32 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 562' ' ' PRO . . . . . 0.491 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.1 Cg_endo -75.06 145.23 83.29 Favored 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 120.989 -2.504 . . . . 0.0 110.969 0.085 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . 0.491 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -38.3 -99.23 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.52 1.138 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 564' ' ' VAL . . . . . 0.532 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 2.2 t -137.31 159.13 35.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 0.78 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . 0.56 ' HG3' ' CE2' ' A' ' 548' ' ' TYR . 0.0 OUTLIER -84.93 112.8 20.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 566' ' ' MET . . . . . 0.6 ' HG2' HG21 ' A' ' 549' ' ' ILE . 0.0 OUTLIER -35.43 133.3 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 111.04 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . 0.438 ' O ' ' O ' ' A' ' 576' ' ' LYS . 19.0 mt-30 -100.51 115.0 29.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 567' ' ' GLN . 0.3 OUTLIER -39.22 149.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -82.33 -146.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -124.15 3.18 8.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 571' ' ' ILE . . . . . 0.596 HG22 ' N ' ' A' ' 572' ' ' SER . 76.0 mt -82.65 -93.66 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . 0.596 ' N ' HG22 ' A' ' 571' ' ' ILE . 5.8 t 177.9 94.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.011 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 96.03 9.73 56.87 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -103.98 158.51 16.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 575' ' ' ALA . . . . . . . . . . . . . . . -116.71 152.19 34.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 576' ' ' LYS . . . . . 0.438 ' O ' ' O ' ' A' ' 567' ' ' GLN . 0.0 OUTLIER -152.04 128.98 10.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 577' ' ' ILE . . . . . 0.944 HD11 HG23 ' A' ' 579' ' ' VAL . 0.2 OUTLIER -131.33 152.23 36.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 578' ' ' THR . . . . . 0.925 ' N ' HD12 ' A' ' 577' ' ' ILE . 65.6 m -115.8 141.75 47.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.37 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . 0.944 HG23 HD11 ' A' ' 577' ' ' ILE . 82.8 t -130.83 119.25 44.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 580' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.38 125.76 31.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 581' ' ' ILE . . . . . 1.014 HD11 HG23 ' A' ' 610' ' ' THR . 37.1 pt -137.36 49.18 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -55.0 -20.8 21.6 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.556 1.16 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.86 39.47 3.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 0.767 . . . . 0.0 110.038 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 584' ' ' ALA . . . . . 0.843 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -153.55 143.9 22.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 93.2 p -111.56 -3.53 15.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 110.036 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 586' ' ' GLN . . . . . 0.402 ' O ' ' HB2' ' A' ' 554' ' ' ALA . 86.5 mt-30 -151.33 138.49 19.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.881 HD22 HG11 ' A' ' 579' ' ' VAL . 5.8 tt -146.83 126.57 13.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . 0.511 ' HA ' ' O ' ' A' ' 606' ' ' TYR . 1.5 pm0 -91.42 144.18 25.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 110.28 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 589' ' ' ALA . . . . . 0.654 ' HB1' HD11 ' A' ' 549' ' ' ILE . . . -133.55 134.76 43.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -119.53 164.0 16.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 591' ' ' PHE . . . . . 0.816 ' CE1' ' CD2' ' A' ' 615' ' ' TYR . 35.0 m-85 -122.4 127.3 49.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 592' ' ' ASN . . . . . 0.408 ' HA ' ' O ' ' A' ' 597' ' ' ASN . 8.9 p30 -141.75 136.37 30.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.249 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -54.14 -43.3 70.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . 0.48 ' O ' ' CB ' ' A' ' 595' ' ' ASN . . . 170.79 39.56 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 595' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 594' ' ' GLY . 12.8 t-20 80.48 84.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 0.753 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 596' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' A' ' 595' ' ' ASN . 1.2 m-20 160.38 -27.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 597' ' ' ASN . . . . . 0.408 ' O ' ' HA ' ' A' ' 592' ' ' ASN . 1.2 t-20 -138.95 90.25 2.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 26.1 m95 -97.15 142.7 28.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.122 . . . . 0.0 108.003 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -119.27 44.67 2.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.353 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 600' ' ' SER . . . . . . . . . . . . . 86.2 p -89.22 36.91 0.84 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.992 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 601' ' ' ASN . . . . . 0.509 ' O ' ' CB ' ' A' ' 602' ' ' ASN . 51.4 t30 61.21 24.68 14.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 602' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' A' ' 601' ' ' ASN . 3.8 t-20 82.52 -51.41 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 603' ' ' THR . . . . . 0.413 ' O ' ' HB2' ' A' ' 604' ' ' LYS . 1.8 m -162.49 153.48 17.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.389 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . 0.448 ' O ' ' O ' ' A' ' 605' ' ' ASN . 1.6 mmtt 73.63 71.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 605' ' ' ASN . . . . . 0.497 ' H ' ' ND2' ' A' ' 605' ' ' ASN . 2.8 m-80 -55.54 -163.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.254 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 606' ' ' TYR . . . . . 0.601 ' CB ' ' CZ ' ' A' ' 608' ' ' PHE . 42.7 m-85 -110.07 163.13 13.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . 0.845 HD13 ' N ' ' A' ' 607' ' ' LEU . 0.0 OUTLIER -119.2 121.45 39.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 608' ' ' PHE . . . . . 0.601 ' CZ ' ' CB ' ' A' ' 606' ' ' TYR . 11.8 m-85 -127.28 143.47 51.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 9.9 t -112.15 169.35 8.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.962 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 610' ' ' THR . . . . . 1.014 HG23 HD11 ' A' ' 581' ' ' ILE . 44.9 p -42.57 164.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.423 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 110.78 -145.86 17.47 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 612' ' ' THR . . . . . 0.434 HG21 ' CA ' ' A' ' 630' ' ' ALA . 25.3 m -121.3 134.58 55.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 0.756 . . . . 0.0 110.408 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 10.0 m -142.23 157.54 44.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.016 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . 0.475 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 7.2 m -132.99 115.01 14.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.399 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 615' ' ' TYR . . . . . 0.816 ' CD2' ' CE1' ' A' ' 591' ' ' PHE . 90.0 t80 -97.36 114.01 25.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.528 1.143 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 85.8 m -120.13 99.5 48.56 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.332 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 170.09 21.19 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.485 1.782 . . . . 0.0 110.983 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . -98.82 -157.58 29.41 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . 0.426 ' O ' ' CB ' ' A' ' 620' ' ' ASN . 1.0 OUTLIER -130.02 146.46 51.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 0.738 . . . . 0.0 110.026 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 620' ' ' ASN . . . . . 0.426 ' CB ' ' O ' ' A' ' 619' ' ' SER . 6.4 t30 76.76 45.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.339 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . 52.19 49.45 50.14 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 622' ' ' ALA . . . . . . . . . . . . . . . -123.01 104.82 9.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 0.764 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -40.64 147.43 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 624' ' ' GLY . . . . . . . . . . . . . . . -105.61 -134.38 7.87 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.539 1.149 . . . . 0.0 110.964 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 14.7 p -151.68 161.65 42.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 0.0 110.431 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 626' ' ' ILE . . . . . 0.58 HG23 ' HA ' ' A' ' 615' ' ' TYR . 0.1 OUTLIER -117.98 135.84 57.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.26 122.84 40.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.08 147.22 38.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.378 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 109.3 140.82 9.05 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.434 ' CA ' HG21 ' A' ' 612' ' ' THR . . . -59.71 118.69 33.99 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.46 0.741 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 172.91 15.45 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.505 1.792 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.84 78.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.922 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 633' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.506 1.129 . . . . 0.0 110.957 179.93 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . 58.99 97.8 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . 0.516 HG22 ' N ' ' A' ' 533' ' ' THR . 31.3 m 60.01 172.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 0.794 . . . . 0.0 110.394 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . 0.741 HG22 ' O ' ' A' ' 533' ' ' THR . 0.8 OUTLIER -170.84 86.06 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.395 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 534' ' ' ASN . . . . . 0.458 ' O ' ' HA ' ' A' ' 580' ' ' ASP . 1.1 t-20 -99.84 -177.77 3.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . 0.555 ' HB3' HG22 ' A' ' 578' ' ' THR . 10.8 mtmm -144.94 152.64 40.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 579' ' ' VAL . 34.1 m -119.55 115.03 46.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 90.0 m -100.82 121.22 41.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.382 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 576' ' ' LYS . 3.8 t -127.5 135.56 62.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 539' ' ' TYR . . . . . 0.543 ' CE1' ' HB2' ' A' ' 576' ' ' LYS . 4.2 m-85 -109.63 134.22 52.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 540' ' ' TYR . . . . . 0.581 ' CD1' ' CE2' ' A' ' 615' ' ' TYR . 1.8 t80 -118.58 139.24 51.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.412 1.07 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 541' ' ' LYS . . . . . 0.471 ' O ' ' CE1' ' A' ' 540' ' ' TYR . 0.1 OUTLIER -93.32 113.92 26.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 542' ' ' LYS . . . . . 0.501 ' HA ' ' HA3' ' A' ' 543' ' ' GLY . 6.7 ttpt -93.93 142.01 27.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.351 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 543' ' ' GLY . . . . . 0.501 ' HA3' ' HA ' ' A' ' 542' ' ' LYS . . . 143.38 -131.33 4.47 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.538 1.148 . . . . 0.0 110.959 -0.024 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . 0.518 ' CD1' ' N ' ' A' ' 544' ' ' PHE . 3.6 m-85 -118.03 -137.4 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.765 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 545' ' ' ASN . . . . . 0.452 ' H ' ' ND2' ' A' ' 545' ' ' ASN . 1.0 OUTLIER -103.98 -49.04 3.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 41.3 m -139.55 68.45 38.13 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.988 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 141.67 26.87 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.482 1.78 . . . . 0.0 110.979 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 548' ' ' TYR . . . . . 0.519 ' CZ ' ' HB2' ' A' ' 565' ' ' LYS . 1.4 m-85 -124.72 150.57 46.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 110.959 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . 0.939 HG23 ' O ' ' A' ' 590' ' ' ALA . 3.6 mt -126.3 144.72 35.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 550' ' ' HIS . . . . . 0.418 ' CE1' ' O ' ' A' ' 559' ' ' THR . 1.5 t60 -124.9 115.19 20.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.583 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 551' ' ' TYR . . . . . 0.567 ' HB2' HD21 ' A' ' 587' ' ' LEU . 0.1 OUTLIER -125.84 158.42 35.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 552' ' ' ARG . . . . . 0.536 ' CG ' ' O ' ' A' ' 557' ' ' SER . 0.0 OUTLIER -135.72 133.48 20.12 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.343 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 553' ' ' PRO . . . . . 0.544 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.2 Cg_endo -75.02 155.79 42.84 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.51 1.795 . . . . 0.0 110.972 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . 0.502 ' HB3' ' CB ' ' A' ' 584' ' ' ALA . . . -40.31 -30.05 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . 0.438 ' N ' ' C ' ' A' ' 553' ' ' PRO . . . -52.41 -23.0 11.85 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.496 1.122 . . . . 0.0 111.039 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . 86.11 27.82 29.98 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 557' ' ' SER . . . . . 0.544 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 0.3 OUTLIER -100.63 140.2 35.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 0.728 . . . . 0.0 109.975 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 558' ' ' TRP . . . . . 0.535 ' CD2' ' HB2' ' A' ' 552' ' ' ARG . 90.6 m95 -122.4 97.46 5.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 108.001 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . 0.487 ' CG2' ' N ' ' A' ' 560' ' ' ALA . 1.4 m -46.01 169.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.424 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 560' ' ' ALA . . . . . 0.487 ' N ' ' CG2' ' A' ' 559' ' ' THR . . . -55.33 109.68 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 561' ' ' ALA . . . . . 0.478 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -68.27 132.47 91.62 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 562' ' ' PRO . . . . . 0.498 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.3 Cg_endo -75.02 143.66 78.49 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 121.023 -2.49 . . . . 0.0 110.983 0.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . 0.498 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -35.11 -98.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.477 1.111 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 2.1 t -137.11 158.55 36.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 548' ' ' TYR . 1.2 ttpp -89.11 110.42 21.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 566' ' ' MET . . . . . 0.67 ' SD ' HG23 ' A' ' 577' ' ' ILE . 0.0 OUTLIER -36.25 141.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.98 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . 0.448 ' H ' HG22 ' A' ' 577' ' ' ILE . 1.6 mm-40 -105.79 133.84 49.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.29 150.01 0.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.803 ' HB2' ' HB3' ' A' ' 576' ' ' LYS . . . -94.89 -142.87 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.242 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -125.91 10.45 7.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 571' ' ' ILE . . . . . 0.428 ' O ' ' CB ' ' A' ' 572' ' ' SER . 17.4 mm -83.18 -83.4 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' A' ' 571' ' ' ILE . 0.6 OUTLIER 165.15 95.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 89.0 7.97 69.69 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -107.2 161.02 15.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 110.989 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 575' ' ' ALA . . . . . 0.613 ' HB1' ' HB3' ' A' ' 566' ' ' MET . . . -115.72 154.99 28.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 576' ' ' LYS . . . . . 0.803 ' HB3' ' HB2' ' A' ' 569' ' ' ALA . 0.0 OUTLIER -154.2 138.42 16.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 577' ' ' ILE . . . . . 0.67 HG23 ' SD ' ' A' ' 566' ' ' MET . 0.8 OUTLIER -134.71 152.08 32.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 578' ' ' THR . . . . . 0.555 HG22 ' HB3' ' A' ' 535' ' ' LYS . 4.9 m -128.89 129.13 45.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.421 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . 0.55 ' O ' HG22 ' A' ' 536' ' ' VAL . 2.2 t -127.61 130.86 70.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 580' ' ' ASP . . . . . 0.458 ' HA ' ' O ' ' A' ' 534' ' ' ASN . 21.7 t70 -78.72 149.38 32.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 581' ' ' ILE . . . . . 0.924 HD11 HG23 ' A' ' 610' ' ' THR . 40.3 pt -151.48 48.68 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . 0.503 ' CA ' ' HA ' ' A' ' 533' ' ' THR . . . -50.85 -29.81 20.38 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.89 36.69 4.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 0.737 . . . . 0.0 110.048 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 584' ' ' ALA . . . . . 0.838 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -151.96 139.46 19.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 51.2 m -116.67 6.25 13.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.011 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 586' ' ' GLN . . . . . 0.611 ' HB3' HD11 ' A' ' 607' ' ' LEU . 72.4 mt-30 -149.79 139.08 21.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 110.319 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.567 HD21 ' HB2' ' A' ' 551' ' ' TYR . 5.9 tt -141.36 128.0 20.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . 0.481 ' CG ' ' HB2' ' A' ' 605' ' ' ASN . 1.5 tt0 -89.68 146.67 24.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 589' ' ' ALA . . . . . . . . . . . . . . . -138.98 146.89 41.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.939 ' O ' HG23 ' A' ' 549' ' ' ILE . . . -137.81 153.81 49.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 591' ' ' PHE . . . . . 0.804 ' CE2' ' CD1' ' A' ' 615' ' ' TYR . 1.6 m-85 -115.94 127.56 55.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 592' ' ' ASN . . . . . 0.558 ' HB3' ' CE3' ' A' ' 598' ' ' TRP . 2.5 p30 -149.05 136.34 20.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -56.91 -53.87 53.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . 0.509 ' O ' ' CB ' ' A' ' 595' ' ' ASN . . . 178.37 38.38 0.06 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 595' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' A' ' 594' ' ' GLY . 8.8 t-20 82.42 86.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 596' ' ' ASN . . . . . 0.481 ' CB ' ' O ' ' A' ' 595' ' ' ASN . 2.8 m-20 157.44 -25.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -140.18 86.79 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.268 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 598' ' ' TRP . . . . . 0.558 ' CE3' ' HB3' ' A' ' 592' ' ' ASN . 39.2 m95 -96.85 124.17 40.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 108.036 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.93 -18.0 21.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 600' ' ' SER . . . . . 0.596 ' HB2' ' HB1' ' A' ' 590' ' ' ALA . 11.7 t -42.55 -69.33 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.004 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 601' ' ' ASN . . . . . 0.524 ' O ' ' CB ' ' A' ' 602' ' ' ASN . 1.0 OUTLIER 157.45 -26.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 602' ' ' ASN . . . . . 0.524 ' CB ' ' O ' ' A' ' 601' ' ' ASN . 5.5 t30 83.31 -6.69 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 603' ' ' THR . . . . . 0.712 HG23 ' O ' ' A' ' 603' ' ' THR . 1.2 t -176.34 34.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.378 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 605' ' ' ASN . 2.4 tptt -171.49 46.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 605' ' ' ASN . . . . . 0.481 ' HB2' ' CG ' ' A' ' 588' ' ' GLU . 0.7 OUTLIER -58.79 -156.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 606' ' ' TYR . . . . . 0.543 ' CB ' HD11 ' A' ' 626' ' ' ILE . 28.5 m-85 -129.87 130.48 45.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . 0.611 HD11 ' HB3' ' A' ' 586' ' ' GLN . 5.8 tt -114.17 132.98 55.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 608' ' ' PHE . . . . . 0.577 ' CZ ' ' HB ' ' A' ' 626' ' ' ILE . 25.9 m-85 -144.5 159.39 42.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 111.039 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 609' ' ' SER . . . . . 0.423 ' O ' ' O ' ' A' ' 610' ' ' THR . 19.3 t -110.68 174.22 5.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.026 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 610' ' ' THR . . . . . 0.924 HG23 HD11 ' A' ' 581' ' ' ILE . 24.2 p -37.39 156.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.386 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 122.03 -162.92 15.62 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.537 1.148 . . . . 0.0 111.031 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 612' ' ' THR . . . . . . . . . . . . . 2.1 m -111.2 125.93 54.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 0.724 . . . . 0.0 110.379 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.74 156.41 48.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.971 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . 0.505 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 5.7 m -134.9 118.28 16.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.405 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 615' ' ' TYR . . . . . 0.804 ' CD1' ' CE2' ' A' ' 591' ' ' PHE . 0.0 OUTLIER -96.32 120.01 35.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.972 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 59.6 m -120.89 112.92 33.29 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.398 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 89.01 1.19 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.56 1.821 . . . . 0.0 110.98 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . -87.6 -153.58 25.43 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 622' ' ' ALA . 2.0 m 174.01 -33.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 109.999 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 620' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -87.85 76.01 8.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . 100.09 -36.89 3.82 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.116 . . . . 0.0 110.939 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 622' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 619' ' ' SER . . . -118.22 104.1 10.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 0.78 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -94.12 102.18 14.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 624' ' ' GLY . . . . . . . . . . . . . . . 47.88 98.34 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.429 1.081 . . . . 0.0 111.035 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 33.5 p -136.62 150.13 48.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 0.743 . . . . 0.0 110.401 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 626' ' ' ILE . . . . . 0.665 HG23 ' CA ' ' A' ' 615' ' ' TYR . 0.8 OUTLIER -120.62 128.51 76.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.49 131.32 55.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.26 147.31 38.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.389 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 112.51 140.61 7.95 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.491 1.119 . . . . 0.0 111.038 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -59.85 123.36 71.45 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.517 0.775 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 163.79 34.68 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.497 1.788 . . . . 0.0 111.025 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 33.3 t -141.91 80.98 1.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.005 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 633' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.465 1.103 . . . . 0.0 111.055 -179.936 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . 170.23 98.09 0.11 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . 0.494 ' O ' ' CB ' ' A' ' 533' ' ' THR . 25.8 p -38.63 -45.75 1.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 0.776 . . . . 0.0 110.4 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . 0.516 ' O ' ' CG2' ' A' ' 533' ' ' THR . 0.5 OUTLIER 82.36 109.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.408 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 534' ' ' ASN . . . . . 0.544 ' CB ' HG21 ' A' ' 610' ' ' THR . 0.3 OUTLIER -70.0 174.42 5.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -142.48 141.72 32.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . 0.894 HG12 ' HA ' ' A' ' 610' ' ' THR . 25.8 m -114.73 114.8 47.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 577' ' ' ILE . 24.3 m -100.68 124.23 45.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.379 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 21.6 t -125.54 140.92 46.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 539' ' ' TYR . . . . . 0.448 ' CE2' ' CB ' ' A' ' 569' ' ' ALA . 4.4 m-85 -111.87 134.17 53.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 540' ' ' TYR . . . . . 0.726 ' HB3' ' HB3' ' A' ' 575' ' ' ALA . 29.5 t80 -118.25 138.86 52.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -90.69 127.39 36.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.25 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 542' ' ' LYS . . . . . 0.446 ' HA ' ' HA3' ' A' ' 543' ' ' GLY . 0.2 OUTLIER -80.18 136.51 36.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.355 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 543' ' ' GLY . . . . . 0.446 ' HA3' ' HA ' ' A' ' 542' ' ' LYS . . . 157.42 -154.41 25.51 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 0.046 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -124.23 -76.56 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 0.0 110.984 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -156.66 -48.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . 0.448 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 34.8 p -174.4 62.58 0.25 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.992 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 547' ' ' PRO . . . . . 0.448 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.2 Cg_endo -75.0 148.37 35.18 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.528 1.804 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 548' ' ' TYR . . . . . 0.404 ' CZ ' ' HB2' ' A' ' 565' ' ' LYS . 6.8 m-85 -105.17 160.79 14.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . 0.602 HG21 ' HG2' ' A' ' 566' ' ' MET . 0.2 OUTLIER -130.26 143.5 40.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 550' ' ' HIS . . . . . 0.409 ' N ' HG13 ' A' ' 549' ' ' ILE . 0.7 OUTLIER -127.43 117.78 22.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.586 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 551' ' ' TYR . . . . . 0.59 ' CE2' HG12 ' A' ' 549' ' ' ILE . 0.2 OUTLIER -127.9 159.93 33.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 111.032 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 552' ' ' ARG . . . . . 0.578 ' HD3' ' CD1' ' A' ' 558' ' ' TRP . 0.3 OUTLIER -143.88 151.54 53.16 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.339 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 553' ' ' PRO . . . . . 0.511 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.2 Cg_endo -75.01 155.97 42.92 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.472 1.775 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . 0.475 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -33.65 -73.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -126.12 85.98 0.35 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -146.43 -90.95 0.1 Allowed Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 557' ' ' SER . . . . . 0.511 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 30.2 t -167.19 -179.17 4.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 0.783 . . . . 0.0 109.997 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 558' ' ' TRP . . . . . 0.578 ' CD1' ' HD3' ' A' ' 552' ' ' ARG . 62.9 m95 -108.55 117.37 33.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 108.06 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . 0.46 HG22 ' H ' ' A' ' 560' ' ' ALA . 6.3 m -47.15 174.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.42 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 560' ' ' ALA . . . . . 0.46 ' H ' HG22 ' A' ' 559' ' ' THR . . . -72.22 107.66 4.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 561' ' ' ALA . . . . . 0.508 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -69.37 134.38 88.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 562' ' ' PRO . . . . . 0.552 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.2 Cg_endo -75.02 147.52 89.46 Favored 'Cis proline' 0 C--N 1.361 1.219 0 C-N-CA 120.978 -2.509 . . . . 0.0 110.96 0.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . 0.552 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -39.9 -103.25 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 564' ' ' VAL . . . . . 0.511 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.9 t -137.04 158.67 36.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.449 0.735 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 566' ' ' MET . 0.0 OUTLIER -89.43 109.74 20.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 566' ' ' MET . . . . . 0.602 ' HG2' HG21 ' A' ' 549' ' ' ILE . 0.0 OUTLIER -35.11 131.06 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -102.59 127.98 49.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.307 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.43 149.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.654 ' HB2' ' HB3' ' A' ' 576' ' ' LYS . . . -88.05 -143.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -124.96 8.72 8.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.344 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 571' ' ' ILE . . . . . 0.419 HG22 ' N ' ' A' ' 572' ' ' SER . 10.7 mm -84.5 -94.18 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . 0.419 ' N ' HG22 ' A' ' 571' ' ' ILE . 0.1 OUTLIER 175.78 94.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 110.016 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 94.21 6.81 61.28 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -104.41 160.66 14.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 111.017 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 575' ' ' ALA . . . . . 0.726 ' HB3' ' HB3' ' A' ' 540' ' ' TYR . . . -115.79 155.5 27.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 576' ' ' LYS . . . . . 0.654 ' HB3' ' HB2' ' A' ' 569' ' ' ALA . 0.0 OUTLIER -151.94 138.95 19.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 0.0 109.366 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 577' ' ' ILE . . . . . 0.951 HD12 ' N ' ' A' ' 578' ' ' THR . 0.2 OUTLIER -141.89 151.64 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 578' ' ' THR . . . . . 0.951 ' N ' HD12 ' A' ' 577' ' ' ILE . 29.4 m -128.43 135.85 50.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 110.41 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . 0.812 ' O ' HG22 ' A' ' 536' ' ' VAL . 54.2 t -132.06 119.67 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 580' ' ' ASP . . . . . 0.442 ' HA ' ' O ' ' A' ' 534' ' ' ASN . 0.0 OUTLIER -82.1 125.48 30.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 581' ' ' ILE . . . . . 0.837 ' HB ' ' HB3' ' A' ' 584' ' ' ALA . 6.8 pt -99.5 -56.47 5.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . 0.534 ' O ' ' CB ' ' A' ' 583' ' ' SER . . . 58.1 98.18 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.484 1.115 . . . . 0.0 110.963 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 583' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 582' ' ' GLY . 1.2 t 87.7 23.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 0.73 . . . . 0.0 110.014 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 584' ' ' ALA . . . . . 0.837 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -135.75 143.34 45.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 89.8 p -114.79 1.09 14.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.988 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 586' ' ' GLN . . . . . 0.602 ' NE2' HD23 ' A' ' 607' ' ' LEU . 88.4 mt-30 -151.27 138.43 19.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 110.271 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.682 HD11 HG11 ' A' ' 579' ' ' VAL . 0.3 OUTLIER -144.0 133.78 23.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . 0.43 ' HA ' ' O ' ' A' ' 606' ' ' TYR . 1.9 pm0 -92.65 142.09 27.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 589' ' ' ALA . . . . . 0.486 ' HB1' HD11 ' A' ' 549' ' ' ILE . . . -139.05 135.24 34.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.47 ' HB1' ' OG ' ' A' ' 600' ' ' SER . . . -121.25 158.03 28.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 0.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 591' ' ' PHE . . . . . 0.765 ' CZ ' ' CG ' ' A' ' 615' ' ' TYR . 40.0 m-85 -125.58 127.75 46.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 592' ' ' ASN . . . . . 0.514 ' HB3' ' CD2' ' A' ' 598' ' ' TRP . 9.0 p30 -151.02 143.9 24.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . 0.432 ' HA ' ' HA ' ' A' ' 547' ' ' PRO . 1.0 OUTLIER -72.6 -16.35 61.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.358 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 94.25 26.53 13.81 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 595' ' ' ASN . . . . . 0.441 ' C ' ' N ' ' A' ' 597' ' ' ASN . 0.7 OUTLIER -154.4 77.96 1.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 0.777 . . . . 0.0 109.251 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 41.92 28.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 597' ' ' ASN . . . . . 0.441 ' N ' ' C ' ' A' ' 595' ' ' ASN . 7.6 m-20 -122.79 76.25 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 598' ' ' TRP . . . . . 0.514 ' CD2' ' HB3' ' A' ' 592' ' ' ASN . 34.5 m95 -104.05 153.38 20.94 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.59 3.7 12.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 600' ' ' SER . . . . . 0.487 ' O ' ' CB ' ' A' ' 601' ' ' ASN . 48.8 m -49.2 -71.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.992 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 601' ' ' ASN . . . . . 0.487 ' CB ' ' O ' ' A' ' 600' ' ' SER . 4.0 m-20 156.19 -59.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 10.0 t30 176.01 -64.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.254 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 603' ' ' THR . . . . . . . . . . . . . 64.5 m -157.59 54.67 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.412 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 605' ' ' ASN . 0.4 OUTLIER -175.1 71.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 605' ' ' ASN . . . . . 0.411 ' O ' ' O ' ' A' ' 604' ' ' LYS . 17.3 m-80 -57.53 -159.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 606' ' ' TYR . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 608' ' ' PHE . 85.2 m-85 -112.96 162.5 15.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . 0.602 HD23 ' NE2' ' A' ' 586' ' ' GLN . 1.9 mp -114.48 122.64 47.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 608' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 606' ' ' TYR . 14.0 m-85 -127.64 148.8 50.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 2.3 t -111.37 167.61 10.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.961 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 610' ' ' THR . . . . . 0.894 ' HA ' HG12 ' A' ' 536' ' ' VAL . 45.0 p -54.04 173.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 110.425 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 102.28 -142.48 15.61 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 612' ' ' THR . . . . . 0.647 HG21 ' CA ' ' A' ' 630' ' ' ALA . 55.5 m -114.3 131.75 56.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 110.35 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -142.94 157.44 44.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.979 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . 0.537 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 10.8 m -133.92 131.96 39.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.373 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 615' ' ' TYR . . . . . 0.765 ' CG ' ' CZ ' ' A' ' 591' ' ' PHE . 4.2 t80 -115.83 119.73 36.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 110.953 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 30.3 m -112.61 112.12 51.39 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.429 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . 0.569 ' HG3' ' CE2' ' A' ' 540' ' ' TYR . 18.3 Cg_endo -75.0 152.25 40.51 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.509 1.794 . . . . 0.0 110.982 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . -84.73 -158.13 28.34 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 9.3 t -96.52 39.57 1.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 0.785 . . . . 0.0 110.019 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 620' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 65.53 128.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . 87.26 -19.67 30.14 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.461 1.101 . . . . 0.0 111.004 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 622' ' ' ALA . . . . . . . . . . . . . . . -123.23 104.72 9.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -52.24 161.33 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 624' ' ' GLY . . . . . . . . . . . . . . . -112.34 -138.02 7.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.546 1.154 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 10.3 p -151.87 167.29 28.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.764 . . . . 0.0 110.384 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 626' ' ' ILE . . . . . 0.537 ' HA ' ' O ' ' A' ' 614' ' ' THR . 0.2 OUTLIER -120.43 125.1 73.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -107.55 122.4 46.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.23 151.01 36.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 110.387 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 102.85 141.78 11.75 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.573 1.171 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.647 ' CA ' HG21 ' A' ' 612' ' ' THR . . . -59.45 118.56 31.98 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.452 0.736 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . 0.43 ' HG3' ' CG2' ' A' ' 614' ' ' THR . 18.2 Cg_endo -75.08 153.53 41.46 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.48 1.779 . . . . 0.0 111.001 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.83 69.78 1.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.045 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 633' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . -47.82 -59.97 5.77 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 8.7 m 55.3 18.05 2.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 0.0 110.422 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . 0.469 ' HB ' ' CA ' ' A' ' 582' ' ' GLY . 2.6 m -81.7 -83.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.448 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 534' ' ' ASN . . . . . 0.499 ' C ' ' CD ' ' A' ' 535' ' ' LYS . 2.1 m-20 -99.79 162.59 12.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . 0.499 ' CD ' ' C ' ' A' ' 534' ' ' ASN . 0.1 OUTLIER -148.73 149.51 31.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . 0.745 HG12 ' HA ' ' A' ' 610' ' ' THR . 8.0 m -116.02 112.98 41.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 55.4 m -100.37 124.4 45.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.42 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . 0.736 HG13 ' HB3' ' A' ' 613' ' ' SER . 2.8 t -127.35 134.09 66.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 539' ' ' TYR . . . . . 0.41 ' CD2' ' HG2' ' A' ' 631' ' ' PRO . 2.8 m-85 -109.33 117.28 33.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 111.034 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 540' ' ' TYR . . . . . 0.597 ' CD2' ' CE1' ' A' ' 591' ' ' PHE . 22.0 t80 -109.39 138.76 45.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -89.25 123.01 33.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 542' ' ' LYS . . . . . 0.543 ' CG ' ' HA3' ' A' ' 543' ' ' GLY . 6.9 ttmt -87.88 138.55 31.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.333 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 543' ' ' GLY . . . . . 0.543 ' HA3' ' CG ' ' A' ' 542' ' ' LYS . . . 150.19 -122.52 1.42 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 -0.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -131.52 -87.31 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 0.719 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 545' ' ' ASN . . . . . 0.485 ' O ' ' CB ' ' A' ' 546' ' ' SER . 0.5 OUTLIER -148.92 27.56 0.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 545' ' ' ASN . 0.7 OUTLIER 85.5 69.08 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 173.72 14.03 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.482 1.78 . . . . 0.0 111.018 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -108.03 143.24 37.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . 0.897 HG23 ' O ' ' A' ' 590' ' ' ALA . 4.1 mt -116.65 144.31 24.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 550' ' ' HIS . . . . . 0.403 ' CD2' ' HB2' ' A' ' 561' ' ' ALA . 1.1 t60 -130.0 117.09 19.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.626 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 551' ' ' TYR . . . . . 0.644 ' HB2' HD21 ' A' ' 587' ' ' LEU . 0.3 OUTLIER -126.58 160.57 30.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 111.019 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 552' ' ' ARG . . . . . 0.722 ' O ' HD22 ' A' ' 587' ' ' LEU . 0.2 OUTLIER -141.65 152.06 61.97 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 553' ' ' PRO . . . . . 0.515 ' O ' ' C ' ' A' ' 554' ' ' ALA . 18.3 Cg_endo -75.01 152.45 40.7 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.448 1.762 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -30.31 -72.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -126.19 86.65 0.35 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -147.65 -91.55 0.1 Allowed Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 557' ' ' SER . . . . . 0.514 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 40.0 t -168.63 179.83 4.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 0.792 . . . . 0.0 110.017 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 558' ' ' TRP . . . . . 0.525 ' CD1' ' HD3' ' A' ' 552' ' ' ARG . 53.3 m95 -105.67 112.94 26.22 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . 0.475 HG22 ' H ' ' A' ' 560' ' ' ALA . 88.9 m -46.34 173.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.393 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 560' ' ' ALA . . . . . 0.475 ' H ' HG22 ' A' ' 559' ' ' THR . . . -65.27 107.8 1.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 561' ' ' ALA . . . . . 0.511 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -71.7 133.9 84.27 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.301 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 562' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 561' ' ' ALA . 18.3 Cg_endo -75.0 147.0 88.2 Favored 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 121.04 -2.483 . . . . 0.0 111.015 0.006 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . 0.484 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -40.63 -99.27 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 564' ' ' VAL . . . . . 0.518 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.5 t -136.54 157.83 37.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.531 0.783 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . 0.495 ' O ' ' C ' ' A' ' 566' ' ' MET . 0.0 OUTLIER -86.05 119.84 26.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.576 1.172 . . . . 0.0 109.318 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 566' ' ' MET . . . . . 0.714 ' HE2' ' CG2' ' A' ' 577' ' ' ILE . 0.3 OUTLIER -29.02 118.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 111.031 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 576' ' ' LYS . 0.1 OUTLIER -86.6 106.57 17.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 567' ' ' GLN . 0.1 OUTLIER -39.76 143.6 0.23 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.651 ' HB2' ' HB3' ' A' ' 576' ' ' LYS . . . -90.4 -151.18 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.78 2.6 11.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 571' ' ' ILE . . . . . 0.546 ' O ' ' CB ' ' A' ' 572' ' ' SER . 9.0 mt -78.75 -23.68 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . 0.546 ' CB ' ' O ' ' A' ' 571' ' ' ILE . 1.8 t 88.46 108.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.001 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 90.61 -1.37 78.72 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -108.88 161.28 15.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 0.786 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 575' ' ' ALA . . . . . 0.652 ' HB1' ' HB3' ' A' ' 566' ' ' MET . . . -115.02 156.21 25.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 576' ' ' LYS . . . . . 0.651 ' HB3' ' HB2' ' A' ' 569' ' ' ALA . 0.4 OUTLIER -153.91 132.85 12.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 577' ' ' ILE . . . . . 1.041 ' O ' HD13 ' A' ' 577' ' ' ILE . 0.0 OUTLIER -130.42 146.82 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.342 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 578' ' ' THR . . . . . 0.498 HG22 ' HB3' ' A' ' 535' ' ' LYS . 5.3 m -127.12 132.99 50.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 110.431 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . 0.693 ' O ' HG22 ' A' ' 536' ' ' VAL . 44.1 t -129.82 130.83 66.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.247 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 580' ' ' ASP . . . . . 0.433 ' C ' HG23 ' A' ' 581' ' ' ILE . 3.2 t70 -79.75 150.23 30.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 581' ' ' ILE . . . . . 0.793 ' HB ' ' HB3' ' A' ' 584' ' ' ALA . 38.9 pt -152.88 48.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . 0.469 ' CA ' ' HB ' ' A' ' 533' ' ' THR . . . -53.34 -24.92 24.78 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.134 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -128.12 44.28 2.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.764 . . . . 0.0 110.009 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 584' ' ' ALA . . . . . 0.793 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -159.66 141.8 13.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.85 -5.14 17.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.996 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -143.06 138.54 30.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.309 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.847 HD13 ' C ' ' A' ' 587' ' ' LEU . 0.3 OUTLIER -128.97 143.68 50.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . 0.637 ' N ' HD13 ' A' ' 587' ' ' LEU . 1.7 pm0 -116.77 143.45 45.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 589' ' ' ALA . . . . . 0.52 ' HB2' ' HB3' ' A' ' 551' ' ' TYR . . . -139.57 150.38 44.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.138 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.897 ' O ' HG23 ' A' ' 549' ' ' ILE . . . -132.38 161.94 32.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 0.0 109.285 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 591' ' ' PHE . . . . . 0.597 ' CE1' ' CD2' ' A' ' 540' ' ' TYR . 86.5 m-85 -115.44 140.66 48.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 110.963 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 592' ' ' ASN . . . . . 0.419 ' HB3' ' CD2' ' A' ' 598' ' ' TRP . 11.5 p30 -159.14 135.21 8.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -81.94 -13.74 57.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 92.92 16.72 46.88 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -134.56 64.22 1.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 44.24 29.07 0.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -119.76 85.54 2.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 598' ' ' TRP . . . . . 0.419 ' CD2' ' HB3' ' A' ' 592' ' ' ASN . 58.4 m95 -101.31 136.65 40.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 107.989 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -121.28 56.75 1.03 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 600' ' ' SER . . . . . 0.486 ' O ' ' CB ' ' A' ' 601' ' ' ASN . 93.2 p -107.41 20.66 18.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.973 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 601' ' ' ASN . . . . . 0.486 ' CB ' ' O ' ' A' ' 600' ' ' SER . 17.6 t30 81.52 -56.76 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -167.7 -70.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 603' ' ' THR . . . . . . . . . . . . . 2.8 t -172.98 31.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.412 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 605' ' ' ASN . 0.9 OUTLIER -118.4 -9.83 10.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 605' ' ' ASN . . . . . 0.455 ' OD1' ' N ' ' A' ' 606' ' ' TYR . 11.1 p30 38.38 -155.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 606' ' ' TYR . . . . . 0.655 ' CB ' ' CZ ' ' A' ' 608' ' ' PHE . 96.7 m-85 -129.63 161.76 29.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 111.038 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -114.5 121.06 42.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 608' ' ' PHE . . . . . 0.724 ' HE1' HD13 ' A' ' 626' ' ' ILE . 11.2 m-85 -129.74 150.46 51.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 8.5 t -111.21 166.9 10.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.014 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 610' ' ' THR . . . . . 0.745 ' HA ' HG12 ' A' ' 536' ' ' VAL . 68.5 p -47.57 170.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.374 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 105.65 -157.76 16.08 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 612' ' ' THR . . . . . 0.529 HG21 ' HA ' ' A' ' 630' ' ' ALA . 1.3 m -103.15 132.77 49.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.562 0.801 . . . . 0.0 110.424 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 613' ' ' SER . . . . . 0.736 ' HB3' HG13 ' A' ' 538' ' ' VAL . 0.1 OUTLIER -132.94 158.0 43.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . 0.51 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 2.6 m -133.22 114.74 14.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 110.41 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 615' ' ' TYR . . . . . 0.639 ' CE1' ' CG1' ' A' ' 626' ' ' ILE . 0.1 OUTLIER -96.01 114.75 26.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 0.0 111.024 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 3.7 m -103.56 114.23 64.97 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.415 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . 0.544 ' HG3' ' CZ ' ' A' ' 540' ' ' TYR . 18.3 Cg_endo -74.98 54.41 3.62 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.468 1.772 . . . . 0.0 110.985 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 617' ' ' PRO . . . 35.63 -152.95 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.51 -55.15 5.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.775 . . . . 0.0 109.975 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 620' ' ' ASN . . . . . 0.404 ' C ' ' N ' ' A' ' 622' ' ' ALA . 7.8 m120 -165.98 127.12 1.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . 41.6 28.01 0.35 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 622' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 623' ' ' ALA . . . -123.75 105.12 9.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 0.741 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 622' ' ' ALA . . . -38.89 119.82 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 624' ' ' GLY . . . . . . . . . . . . . . . -95.97 -128.79 5.76 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.544 1.152 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 2.8 p -151.08 170.04 20.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 0.0 110.414 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 626' ' ' ILE . . . . . 0.741 ' H ' HD12 ' A' ' 626' ' ' ILE . 0.1 OUTLIER -118.1 125.42 74.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.73 128.57 55.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.265 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.78 146.51 39.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.397 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 118.48 141.99 6.83 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.529 ' HA ' HG21 ' A' ' 612' ' ' THR . . . -59.48 135.11 88.86 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.464 0.744 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . 0.425 ' O ' ' N ' ' A' ' 633' ' ' GLY . 18.2 Cg_endo -75.06 179.17 6.36 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.516 1.798 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.86 63.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 110.009 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 633' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 631' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.49 1.119 . . . . 0.0 111.032 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . -150.93 46.69 0.61 Allowed Glycine 0 CA--C 1.531 1.062 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 23.9 m -121.68 -42.35 2.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 0.782 . . . . 0.0 110.407 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . 0.412 HG23 ' H ' ' A' ' 533' ' ' THR . 81.4 p -41.06 152.83 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.396 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 534' ' ' ASN . . . . . 0.881 ' HB3' HG21 ' A' ' 610' ' ' THR . 2.1 m-20 -108.72 169.85 8.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 579' ' ' VAL . 8.8 mttp -146.9 150.35 35.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . 0.723 HG13 ' HA ' ' A' ' 610' ' ' THR . 0.2 OUTLIER -115.34 121.51 67.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 14.8 m -105.64 122.3 45.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.409 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . 0.419 ' HB ' HD12 ' A' ' 577' ' ' ILE . 2.5 t -123.28 130.43 74.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 539' ' ' TYR . . . . . 0.464 ' CB ' ' HG3' ' A' ' 631' ' ' PRO . 2.1 m-85 -106.79 119.78 40.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 540' ' ' TYR . . . . . 0.58 ' CE2' ' HG3' ' A' ' 617' ' ' PRO . 42.4 t80 -109.41 138.91 45.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -92.01 119.08 31.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.17 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 542' ' ' LYS . . . . . 0.579 ' CG ' ' HA3' ' A' ' 543' ' ' GLY . 18.2 ttmt -82.26 137.77 34.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 543' ' ' GLY . . . . . 0.579 ' HA3' ' CG ' ' A' ' 542' ' ' LYS . . . 149.23 -123.93 1.71 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.539 1.149 . . . . 0.0 111.05 0.004 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -138.7 -87.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.743 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 545' ' ' ASN . . . . . 0.505 ' O ' ' CB ' ' A' ' 546' ' ' SER . 64.6 m-80 -144.54 26.31 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 545' ' ' ASN . 1.4 m 86.3 70.08 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.983 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 142.27 27.6 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.53 1.805 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -77.28 145.73 37.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . 0.586 HG12 ' CE2' ' A' ' 551' ' ' TYR . 0.6 OUTLIER -116.79 142.06 32.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 550' ' ' HIS . . . . . 0.583 ' CE1' ' HB2' ' A' ' 561' ' ' ALA . 3.4 t-160 -130.86 118.17 20.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.619 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 551' ' ' TYR . . . . . 0.729 ' HB2' HD21 ' A' ' 587' ' ' LEU . 0.3 OUTLIER -127.41 160.6 30.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.948 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 552' ' ' ARG . . . . . 0.553 ' CZ ' ' NE1' ' A' ' 558' ' ' TRP . 0.5 OUTLIER -138.86 140.89 28.62 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 553' ' ' PRO . . . . . 0.504 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.4 Cg_endo -74.97 143.49 29.21 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.523 1.802 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 586' ' ' GLN . . . -72.97 59.57 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 149.97 38.46 0.03 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -146.09 -94.24 0.15 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 557' ' ' SER . . . . . 0.504 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 47.3 t 178.62 -171.2 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.77 . . . . 0.0 109.983 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 558' ' ' TRP . . . . . 0.553 ' NE1' ' CZ ' ' A' ' 552' ' ' ARG . 86.7 m95 -93.22 120.57 33.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 107.993 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . 0.492 ' O ' ' CE1' ' A' ' 550' ' ' HIS . 19.9 m -54.16 168.99 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.348 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 560' ' ' ALA . . . . . 0.474 ' N ' HG22 ' A' ' 559' ' ' THR . . . -64.51 107.61 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 561' ' ' ALA . . . . . 0.583 ' HB2' ' CE1' ' A' ' 550' ' ' HIS . . . -70.21 133.72 87.46 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 562' ' ' PRO . . . . . 0.508 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.2 Cg_endo -74.95 146.84 87.79 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 121.033 -2.486 . . . . 0.0 110.992 -0.074 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . 0.508 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -41.99 -101.66 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 564' ' ' VAL . . . . . 0.535 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.8 t -136.86 157.68 36.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.474 0.749 . . . . 0.0 109.292 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 566' ' ' MET . 0.0 OUTLIER -86.96 120.53 28.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 566' ' ' MET . . . . . 0.624 ' HB3' ' HB1' ' A' ' 575' ' ' ALA . 0.9 OUTLIER -35.53 124.72 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.983 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 576' ' ' LYS . 1.6 mt-30 -91.33 110.71 22.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -48.32 133.91 15.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.5 ' HB2' ' HB3' ' A' ' 576' ' ' LYS . . . -73.69 -145.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -124.16 11.32 8.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 571' ' ' ILE . . . . . . . . . . . . . 19.0 mt -82.19 -86.8 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 166.96 91.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.038 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 94.9 8.52 59.13 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.443 1.089 . . . . 0.0 110.953 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -103.61 157.88 16.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 110.965 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 575' ' ' ALA . . . . . 0.624 ' HB1' ' HB3' ' A' ' 566' ' ' MET . . . -115.69 154.47 29.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 576' ' ' LYS . . . . . 0.5 ' HB3' ' HB2' ' A' ' 569' ' ' ALA . 1.0 OUTLIER -154.52 129.13 9.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 577' ' ' ILE . . . . . 1.056 ' O ' HD13 ' A' ' 577' ' ' ILE . 0.0 OUTLIER -126.37 145.54 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 578' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 3.7 m -127.11 130.56 50.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.386 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . 0.75 ' CG1' HD13 ' A' ' 587' ' ' LEU . 0.7 OUTLIER -130.63 132.05 64.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 580' ' ' ASP . . . . . 0.408 ' HA ' ' O ' ' A' ' 534' ' ' ASN . 5.1 t70 -93.5 148.29 22.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 581' ' ' ILE . . . . . 0.921 HD11 ' CG2' ' A' ' 610' ' ' THR . 2.7 pt -128.41 -36.05 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.373 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . 0.529 ' O ' ' CB ' ' A' ' 583' ' ' SER . . . 39.39 48.85 2.94 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 583' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 582' ' ' GLY . 0.4 OUTLIER 156.93 -51.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 0.756 . . . . 0.0 109.992 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 584' ' ' ALA . . . . . 0.858 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -65.19 146.09 55.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 71.3 m -112.72 1.18 15.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 110.023 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 586' ' ' GLN . . . . . 0.482 ' O ' ' CB ' ' A' ' 554' ' ' ALA . 19.6 mt-30 -151.3 137.84 18.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.75 HD13 ' CG1' ' A' ' 579' ' ' VAL . 4.2 tt -137.68 132.99 33.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . 0.427 ' O ' ' CA ' ' A' ' 551' ' ' TYR . 1.7 pm0 -97.25 142.53 29.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 589' ' ' ALA . . . . . 0.525 ' CB ' ' HB3' ' A' ' 551' ' ' TYR . . . -139.42 139.74 37.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -123.78 161.41 25.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.276 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 591' ' ' PHE . . . . . 0.58 ' CZ ' ' CD2' ' A' ' 615' ' ' TYR . 7.9 m-85 -118.57 128.83 54.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 592' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -146.77 136.09 22.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . 0.404 ' C ' ' OD2' ' A' ' 593' ' ' ASP . 0.0 OUTLIER -67.92 -18.67 64.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.308 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 105.48 19.25 10.68 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.503 1.127 . . . . 0.0 110.966 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -126.34 29.32 5.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 0.736 . . . . 0.0 109.349 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 73.11 17.39 4.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -101.4 79.17 1.94 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 598' ' ' TRP . . . . . 0.412 ' CZ3' ' HB3' ' A' ' 550' ' ' HIS . 9.4 m95 -90.13 126.4 35.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 107.977 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -95.06 25.94 3.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 600' ' ' SER . . . . . 0.425 ' OG ' ' N ' ' A' ' 601' ' ' ASN . 95.5 p -58.63 -93.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.981 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 601' ' ' ASN . . . . . 0.439 ' O ' ' CB ' ' A' ' 602' ' ' ASN . 2.2 t-20 175.14 39.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.352 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 602' ' ' ASN . . . . . 0.9 ' O ' HG23 ' A' ' 603' ' ' THR . 31.8 t30 77.8 -54.81 0.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 603' ' ' THR . . . . . 0.9 HG23 ' O ' ' A' ' 602' ' ' ASN . 0.1 OUTLIER -176.31 43.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 110.385 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' A' ' 605' ' ' ASN . 0.0 OUTLIER -147.54 56.49 1.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 605' ' ' ASN . . . . . 0.418 ' O ' ' O ' ' A' ' 604' ' ' LYS . 5.3 m-80 -57.15 -161.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 606' ' ' TYR . . . . . 0.57 ' HB2' ' CE1' ' A' ' 608' ' ' PHE . 92.1 m-85 -127.84 137.76 52.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 4.3 mp -99.61 126.34 45.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 608' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 606' ' ' TYR . 0.4 OUTLIER -122.11 146.36 47.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 609' ' ' SER . . . . . 0.506 ' O ' HG13 ' A' ' 536' ' ' VAL . 20.9 t -102.51 166.24 10.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 610' ' ' THR . . . . . 0.921 ' CG2' HD11 ' A' ' 581' ' ' ILE . 57.3 p -54.97 162.9 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 110.41 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 120.51 -134.81 10.53 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 612' ' ' THR . . . . . 0.419 ' CG2' ' HA ' ' A' ' 630' ' ' ALA . 2.6 m -124.31 123.91 41.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 0.754 . . . . 0.0 110.403 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 11.5 m -139.03 157.72 45.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . 0.51 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 30.3 m -133.58 125.26 28.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.365 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 615' ' ' TYR . . . . . 0.58 ' CD2' ' CZ ' ' A' ' 591' ' ' PHE . 0.1 OUTLIER -97.26 121.05 38.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 20.6 m -117.01 117.81 36.72 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.393 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . 0.58 ' HG3' ' CE2' ' A' ' 540' ' ' TYR . 18.2 Cg_endo -75.03 -161.82 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.448 1.762 . . . . 0.0 110.993 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . -139.31 -175.11 13.9 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.525 1.141 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.78 104.9 1.78 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 0.754 . . . . 0.0 110.042 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 620' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 621' ' ' GLY . 5.1 m-80 62.82 69.6 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 621' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 620' ' ' ASN . . . 37.46 51.82 1.8 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 622' ' ' ALA . . . . . 0.589 ' O ' ' HB3' ' A' ' 623' ' ' ALA . . . -114.0 103.48 11.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 0.756 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . 0.589 ' HB3' ' O ' ' A' ' 622' ' ' ALA . . . 77.1 174.85 0.2 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 624' ' ' GLY . . . . . . . . . . . . . . . -170.93 124.07 1.09 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.498 1.124 . . . . 0.0 110.95 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 67.5 p -126.28 150.59 48.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 0.749 . . . . 0.0 110.424 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 626' ' ' ILE . . . . . 0.51 ' HA ' ' O ' ' A' ' 614' ' ' THR . 0.1 OUTLIER -121.92 130.25 74.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.62 125.8 54.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.18 146.54 41.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.424 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 114.43 143.55 8.31 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.544 1.153 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.419 ' HA ' ' CG2' ' A' ' 612' ' ' THR . . . -59.34 133.4 88.19 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.448 0.734 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . 0.464 ' HG3' ' CB ' ' A' ' 539' ' ' TYR . 18.3 Cg_endo -74.98 -179.94 5.48 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.489 1.784 . . . . 0.0 110.949 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.27 62.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.989 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 633' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 631' ' ' PRO . . . . . . . . 0 CA--C 1.531 1.053 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . -42.77 -89.81 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 48.5 p -97.54 135.57 39.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 110.372 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . 0.748 HG22 ' OD1' ' A' ' 534' ' ' ASN . 47.9 m -154.28 -101.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.428 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 534' ' ' ASN . . . . . 0.748 ' OD1' HG22 ' A' ' 533' ' ' THR . 0.5 OUTLIER -67.04 144.23 56.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.281 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . 0.438 ' HA ' ' O ' ' A' ' 579' ' ' VAL . 0.3 OUTLIER -141.78 149.2 40.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . 0.658 HG13 ' O ' ' A' ' 609' ' ' SER . 1.6 t -115.56 128.23 72.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 16.0 m -102.13 127.39 49.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 1.8 t -126.79 129.96 71.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 539' ' ' TYR . . . . . 0.644 ' HB3' HG23 ' A' ' 614' ' ' THR . 0.7 OUTLIER -111.17 116.53 31.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 540' ' ' TYR . . . . . 0.585 ' CE2' ' HG3' ' A' ' 617' ' ' PRO . 50.6 t80 -112.0 138.61 48.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.969 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -86.96 117.24 25.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 542' ' ' LYS . . . . . 0.489 ' HA ' ' HA3' ' A' ' 543' ' ' GLY . 1.1 ttpt -86.95 142.62 27.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 543' ' ' GLY . . . . . 0.489 ' HA3' ' HA ' ' A' ' 542' ' ' LYS . . . 145.02 -130.63 3.94 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 0.032 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . 0.493 ' CD1' ' N ' ' A' ' 544' ' ' PHE . 4.4 m-85 -121.36 -132.58 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 0.759 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -111.79 -56.27 2.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . 0.43 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 6.9 p -135.58 63.37 53.57 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 109.998 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 547' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.3 Cg_endo -75.05 141.19 26.19 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.519 1.8 . . . . 0.0 111.005 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 548' ' ' TYR . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 565' ' ' LYS . 7.9 m-85 -120.86 155.73 33.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . 0.832 HD13 ' O ' ' A' ' 564' ' ' VAL . 0.2 OUTLIER -129.8 140.9 47.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -120.8 115.33 23.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.631 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 551' ' ' TYR . . . . . 0.631 ' CE2' ' CG1' ' A' ' 549' ' ' ILE . 0.1 OUTLIER -129.66 160.51 33.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 552' ' ' ARG . . . . . 0.62 ' O ' HD12 ' A' ' 587' ' ' LEU . 0.6 OUTLIER -149.78 170.12 8.16 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.273 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 553' ' ' PRO . . . . . 0.564 ' O ' ' HG3' ' A' ' 552' ' ' ARG . 18.2 Cg_endo -75.08 155.76 42.56 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.543 1.812 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . 0.537 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -29.01 -86.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -124.11 94.27 0.48 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.464 1.102 . . . . 0.0 111.005 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -153.88 -86.86 0.06 OUTLIER Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 557' ' ' SER . . . . . 0.574 ' O ' ' HB2' ' A' ' 552' ' ' ARG . 14.4 t -150.34 -175.23 5.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 110.039 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 558' ' ' TRP . . . . . 0.589 ' CG ' ' HD3' ' A' ' 552' ' ' ARG . 66.5 m95 -119.33 140.59 50.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 108.006 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . 0.434 HG22 ' H ' ' A' ' 560' ' ' ALA . 10.0 m -66.55 172.32 4.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.434 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 560' ' ' ALA . . . . . 0.434 ' H ' HG22 ' A' ' 559' ' ' THR . . . -71.08 107.22 4.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 561' ' ' ALA . . . . . 0.494 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -72.16 134.64 82.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 562' ' ' PRO . . . . . 0.519 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.1 Cg_endo -75.02 148.41 91.64 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 121.024 -2.49 . . . . 0.0 110.972 0.052 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . 0.519 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -44.46 -104.06 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 564' ' ' VAL . . . . . 0.832 ' O ' HD13 ' A' ' 549' ' ' ILE . 1.0 OUTLIER -136.23 158.14 38.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 548' ' ' TYR . 0.5 OUTLIER -85.21 117.95 24.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.307 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 566' ' ' MET . . . . . 0.653 ' HB3' ' HB1' ' A' ' 575' ' ' ALA . 3.5 mtp -36.63 136.21 0.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -100.65 115.79 31.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.293 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . 0.422 ' HA ' ' O ' ' A' ' 574' ' ' TYR . 0.0 OUTLIER -46.17 134.91 8.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.407 ' HB2' ' HB3' ' A' ' 576' ' ' LYS . . . -70.45 -143.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -126.02 6.73 7.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 571' ' ' ILE . . . . . 0.494 ' O ' ' CB ' ' A' ' 572' ' ' SER . 77.9 mt -80.97 -78.73 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 571' ' ' ILE . 0.5 OUTLIER 159.86 93.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.002 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 95.52 8.92 58.17 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.515 1.135 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . 0.422 ' O ' ' HA ' ' A' ' 568' ' ' ASP . 11.3 m-85 -103.77 159.85 15.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 0.771 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 575' ' ' ALA . . . . . 0.653 ' HB1' ' HB3' ' A' ' 566' ' ' MET . . . -117.15 150.44 38.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 576' ' ' LYS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 569' ' ' ALA . 0.3 OUTLIER -151.55 128.67 11.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 577' ' ' ILE . . . . . 0.891 HD12 ' N ' ' A' ' 578' ' ' THR . 0.2 OUTLIER -131.33 152.23 36.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 578' ' ' THR . . . . . 0.891 ' N ' HD12 ' A' ' 577' ' ' ILE . 35.8 m -127.44 140.27 52.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.463 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . 0.65 HG11 HD11 ' A' ' 587' ' ' LEU . 2.9 t -131.99 125.76 55.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 580' ' ' ASP . . . . . 0.518 ' O ' HG23 ' A' ' 581' ' ' ILE . 10.8 t0 -81.02 148.82 29.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 581' ' ' ILE . . . . . 0.949 ' HB ' ' HB3' ' A' ' 584' ' ' ALA . 45.8 pt -156.79 50.78 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . -52.69 -19.14 6.21 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 1.2 m -131.42 45.8 2.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.766 . . . . 0.0 109.969 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 584' ' ' ALA . . . . . 0.949 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -162.09 143.6 10.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.82 -2.12 16.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.963 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 586' ' ' GLN . . . . . 0.411 ' O ' ' HB2' ' A' ' 554' ' ' ALA . 28.7 mt-30 -149.0 138.58 21.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.65 HD11 HG11 ' A' ' 579' ' ' VAL . 0.3 OUTLIER -138.11 137.9 38.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . 0.464 ' CG ' ' HG2' ' A' ' 552' ' ' ARG . 1.1 pm0 -100.91 142.48 32.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.261 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 589' ' ' ALA . . . . . 0.516 ' CB ' ' HB3' ' A' ' 551' ' ' TYR . . . -140.62 135.66 31.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.256 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -120.64 157.15 30.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 591' ' ' PHE . . . . . 0.548 ' CZ ' ' CG ' ' A' ' 615' ' ' TYR . 17.9 m-85 -119.16 127.1 53.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.975 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 592' ' ' ASN . . . . . 0.4 ' HA ' ' O ' ' A' ' 597' ' ' ASN . 2.7 p-10 -141.93 161.25 38.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.353 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 21.9 p-10 -84.82 -31.06 24.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . -177.02 -50.13 0.06 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 169.15 72.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 0.741 . . . . 0.0 109.263 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 174.88 -35.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 597' ' ' ASN . . . . . 0.4 ' O ' ' HA ' ' A' ' 592' ' ' ASN . 73.2 m-20 -113.37 87.22 2.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 71.2 m95 -100.48 131.77 46.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 107.984 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -116.99 64.74 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 600' ' ' SER . . . . . . . . . . . . . 1.3 m -104.72 -71.99 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.984 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 601' ' ' ASN . . . . . 0.403 ' C ' ' OD1' ' A' ' 601' ' ' ASN . 15.2 t-20 172.21 -49.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 3.2 t30 171.55 -70.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 603' ' ' THR . . . . . . . . . . . . . 3.4 t -157.13 22.05 0.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.339 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . 0.454 ' O ' ' C ' ' A' ' 605' ' ' ASN . 0.0 OUTLIER -120.13 -11.58 9.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 605' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 604' ' ' LYS . 0.4 OUTLIER 36.49 -153.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 606' ' ' TYR . . . . . 0.883 ' C ' HD13 ' A' ' 607' ' ' LEU . 80.6 m-85 -124.09 162.24 23.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 110.998 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . 0.883 HD13 ' C ' ' A' ' 606' ' ' TYR . 0.0 OUTLIER -124.19 124.11 41.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 608' ' ' PHE . . . . . 0.591 ' CZ ' ' CB ' ' A' ' 606' ' ' TYR . 13.5 m-85 -128.89 145.71 51.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.048 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 609' ' ' SER . . . . . 0.658 ' O ' HG13 ' A' ' 536' ' ' VAL . 38.3 t -111.27 160.06 17.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.002 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 610' ' ' THR . . . . . 0.865 HG23 HD11 ' A' ' 581' ' ' ILE . 63.3 p -46.63 167.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.361 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 114.1 -136.83 13.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.107 . . . . 0.0 110.954 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 612' ' ' THR . . . . . 0.471 HG21 ' HA ' ' A' ' 630' ' ' ALA . 32.0 m -129.92 129.75 44.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 0.743 . . . . 0.0 110.399 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 1.1 t -142.16 156.94 45.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . 0.644 HG23 ' HB3' ' A' ' 539' ' ' TYR . 18.9 m -133.89 119.78 19.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 110.365 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 615' ' ' TYR . . . . . 0.559 ' HA ' HG23 ' A' ' 626' ' ' ILE . 10.1 t80 -96.73 120.22 36.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 96.0 m -109.69 113.26 57.93 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.396 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . 0.585 ' HG3' ' CE2' ' A' ' 540' ' ' TYR . 18.3 Cg_endo -74.98 -178.15 3.96 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.456 1.766 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . -102.35 -154.45 25.33 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.99 -52.05 2.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 110.033 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 620' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -101.63 69.14 1.21 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.251 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . 37.11 52.54 1.61 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 622' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 623' ' ' ALA . . . -122.87 104.86 9.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 622' ' ' ALA . . . -39.54 144.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 624' ' ' GLY . . . . . . . . . . . . . . . -110.08 -118.65 3.99 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.483 1.114 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 4.6 p -151.08 168.48 24.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 0.764 . . . . 0.0 110.402 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 626' ' ' ILE . . . . . 0.559 HG23 ' HA ' ' A' ' 615' ' ' TYR . 0.1 OUTLIER -120.44 127.95 75.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 1.4 tpt85 -108.87 127.91 54.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.62 147.36 37.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.433 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 113.23 141.94 8.16 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.454 1.096 . . . . 0.0 110.972 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.471 ' HA ' HG21 ' A' ' 612' ' ' THR . . . -59.9 126.04 82.26 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.462 0.743 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . 0.482 ' HG2' ' CD2' ' A' ' 539' ' ' TYR . 18.4 Cg_endo -74.94 155.11 43.19 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.493 1.786 . . . . 0.0 111.006 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 1.6 m -141.23 76.14 1.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.007 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 633' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 179.993 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 531' ' ' GLY . . . . . 0.692 ' O ' HG23 ' A' ' 533' ' ' THR . . . 93.46 82.71 1.54 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 531' ' ' GLY . 2.4 m -36.89 134.5 0.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 0.743 . . . . 0.0 110.436 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . 0.692 HG23 ' O ' ' A' ' 531' ' ' GLY . 2.7 p -134.17 161.58 34.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.393 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 534' ' ' ASN . . . . . 0.565 ' HB3' HG21 ' A' ' 610' ' ' THR . 0.9 OUTLIER -105.84 172.59 6.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.268 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 579' ' ' VAL . 11.0 mtmm -146.83 151.45 37.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . 0.554 HG13 ' HA ' ' A' ' 610' ' ' THR . 0.2 OUTLIER -120.7 113.59 40.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 29.3 m -105.31 121.46 43.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.406 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . 0.62 HG12 ' CD1' ' A' ' 577' ' ' ILE . 7.3 p -127.15 141.26 46.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 539' ' ' TYR . . . . . 0.793 ' CE2' HD11 ' A' ' 571' ' ' ILE . 2.8 m-85 -107.98 129.94 55.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 540' ' ' TYR . . . . . 0.527 ' CD2' ' SD ' ' A' ' 566' ' ' MET . 4.7 t80 -113.2 140.06 48.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -90.8 113.31 25.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.361 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 542' ' ' LYS . . . . . 0.484 ' HG3' ' CA ' ' A' ' 543' ' ' GLY . 0.4 OUTLIER -81.24 140.53 34.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 543' ' ' GLY . . . . . 0.484 ' CA ' ' HG3' ' A' ' 542' ' ' LYS . . . 147.54 -136.5 6.09 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 111.043 -0.04 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -120.52 -119.82 0.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 0.0 111.0 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -124.47 -59.33 1.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . 0.478 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 58.3 m -137.17 61.01 31.21 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.014 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 547' ' ' PRO . . . . . 0.478 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.1 Cg_endo -75.03 147.69 34.16 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 110.973 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -122.77 154.02 38.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . 0.596 HG21 ' HG2' ' A' ' 566' ' ' MET . 0.7 OUTLIER -125.28 143.78 37.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 550' ' ' HIS . . . . . 0.401 ' NE2' ' HB2' ' A' ' 561' ' ' ALA . 0.8 OUTLIER -128.98 117.23 20.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.622 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 551' ' ' TYR . . . . . 0.583 ' CD2' HG12 ' A' ' 549' ' ' ILE . 0.2 OUTLIER -128.18 160.93 30.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 552' ' ' ARG . . . . . 0.478 ' HG3' ' N ' ' A' ' 553' ' ' PRO . 0.0 OUTLIER -144.23 152.17 53.51 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 553' ' ' PRO . . . . . 0.498 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.4 Cg_endo -74.98 153.63 42.01 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.474 1.776 . . . . 0.0 111.031 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . 0.468 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -34.26 -70.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -126.06 87.36 0.35 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.467 1.105 . . . . 0.0 110.97 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -149.88 -92.5 0.1 OUTLIER Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 557' ' ' SER . . . . . 0.498 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 39.3 t -170.09 179.68 3.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 0.798 . . . . 0.0 109.974 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 558' ' ' TRP . . . . . 0.448 ' CD1' ' HD3' ' A' ' 552' ' ' ARG . 55.0 m95 -103.31 126.17 50.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 107.965 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . 0.54 HG22 ' H ' ' A' ' 560' ' ' ALA . 51.4 m -60.47 175.12 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.41 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 560' ' ' ALA . . . . . 0.54 ' H ' HG22 ' A' ' 559' ' ' THR . . . -66.82 107.93 2.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 561' ' ' ALA . . . . . 0.493 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -72.42 133.7 82.85 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 562' ' ' PRO . . . . . 0.514 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.4 Cg_endo -74.98 146.06 85.62 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.984 -2.507 . . . . 0.0 111.025 -0.065 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . 0.514 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -37.53 -99.84 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 564' ' ' VAL . . . . . 0.534 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.6 t -137.7 157.54 33.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.547 0.792 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 566' ' ' MET . 12.1 tptm -87.22 108.01 18.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 566' ' ' MET . . . . . 0.612 ' HB3' ' HB1' ' A' ' 575' ' ' ALA . 0.2 OUTLIER -32.09 130.0 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 111.04 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -98.24 129.06 44.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.287 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.0 146.21 1.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.345 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.803 ' HB2' ' HB3' ' A' ' 576' ' ' LYS . . . -87.52 -147.83 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . 0.459 ' O ' ' CG ' ' A' ' 570' ' ' GLU . 1.4 tt0 -122.68 32.93 5.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 571' ' ' ILE . . . . . 0.793 HD11 ' CE2' ' A' ' 539' ' ' TYR . 4.2 mt -109.24 -78.17 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 571' ' ' ILE . 0.5 OUTLIER 160.15 98.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.014 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 86.73 7.6 78.15 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -103.79 160.17 15.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 0.775 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 575' ' ' ALA . . . . . 0.612 ' HB1' ' HB3' ' A' ' 566' ' ' MET . . . -116.24 153.94 30.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 576' ' ' LYS . . . . . 0.803 ' HB3' ' HB2' ' A' ' 569' ' ' ALA . 0.0 OUTLIER -156.0 132.85 10.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 577' ' ' ILE . . . . . 1.065 ' O ' HD13 ' A' ' 577' ' ' ILE . 0.0 OUTLIER -134.57 147.72 29.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 578' ' ' THR . . . . . 0.47 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 84.8 m -122.62 137.51 54.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.402 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . 0.918 ' CG1' HD13 ' A' ' 587' ' ' LEU . 0.8 OUTLIER -130.6 131.84 64.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 580' ' ' ASP . . . . . 0.454 ' C ' HG23 ' A' ' 581' ' ' ILE . 3.2 t0 -82.39 150.79 26.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 581' ' ' ILE . . . . . 0.873 HD11 HG23 ' A' ' 610' ' ' THR . 36.9 pt -154.76 58.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.232 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . 0.484 ' C ' ' O ' ' A' ' 581' ' ' ILE . . . -30.82 -79.21 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.47 1.107 . . . . 0.0 111.022 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.57 -32.44 28.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 0.781 . . . . 0.0 109.984 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 584' ' ' ALA . . . . . 0.771 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -60.13 133.16 55.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.01 -8.38 14.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 110.012 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.08 137.73 31.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.918 HD13 ' CG1' ' A' ' 579' ' ' VAL . 3.8 tt -137.66 131.92 32.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . 0.513 ' HA ' ' O ' ' A' ' 606' ' ' TYR . 2.0 pt-20 -97.39 142.81 28.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 589' ' ' ALA . . . . . 0.606 ' HB3' ' HE2' ' A' ' 608' ' ' PHE . . . -135.09 145.44 47.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.648 ' HB2' ' OG ' ' A' ' 600' ' ' SER . . . -126.07 161.66 27.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 591' ' ' PHE . . . . . 0.563 ' CE2' ' HG3' ' A' ' 617' ' ' PRO . 0.8 OUTLIER -119.66 128.61 53.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 111.051 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 592' ' ' ASN . . . . . 0.418 ' CB ' ' CD2' ' A' ' 598' ' ' TRP . 6.8 p-10 -144.7 135.96 25.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . 0.413 ' OD1' ' ND2' ' A' ' 620' ' ' ASN . 4.2 m-20 -75.01 -12.39 60.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 78.39 10.86 85.87 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -121.47 56.76 1.04 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 0.778 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 59.82 28.86 18.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -131.05 95.26 3.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.254 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 598' ' ' TRP . . . . . 0.418 ' CD2' ' CB ' ' A' ' 592' ' ' ASN . 27.9 m95 -120.97 137.74 54.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 107.97 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -127.97 66.19 1.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 600' ' ' SER . . . . . 0.648 ' OG ' ' HB2' ' A' ' 590' ' ' ALA . 2.2 t -112.04 -29.72 7.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.973 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 601' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -94.76 59.37 2.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 602' ' ' ASN . . . . . 0.434 ' O ' ' HB ' ' A' ' 603' ' ' THR . 0.6 OUTLIER -106.64 -22.88 12.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 603' ' ' THR . . . . . 0.434 ' HB ' ' O ' ' A' ' 602' ' ' ASN . 1.6 t 179.81 41.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.382 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' A' ' 605' ' ' ASN . 0.3 OUTLIER 72.72 45.57 0.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 605' ' ' ASN . . . . . 0.46 ' O ' ' O ' ' A' ' 604' ' ' LYS . 0.2 OUTLIER 43.61 -169.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.294 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 606' ' ' TYR . . . . . 0.607 ' HB2' ' CZ ' ' A' ' 608' ' ' PHE . 5.1 m-85 -130.69 136.02 48.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 11.4 mt -99.31 140.74 33.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 608' ' ' PHE . . . . . 0.607 ' CZ ' ' HB2' ' A' ' 606' ' ' TYR . 25.4 m-85 -131.28 146.59 52.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 4.1 t -111.96 155.35 23.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.96 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 610' ' ' THR . . . . . 0.873 HG23 HD11 ' A' ' 581' ' ' ILE . 22.9 p -38.34 154.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.366 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 122.54 -148.33 16.94 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 612' ' ' THR . . . . . 0.615 HG21 ' HB2' ' A' ' 630' ' ' ALA . 1.8 m -111.63 124.91 53.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 0.796 . . . . 0.0 110.408 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 613' ' ' SER . . . . . 0.468 ' C ' HG23 ' A' ' 538' ' ' VAL . 0.5 OUTLIER -128.75 158.85 37.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.99 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . 0.503 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 25.1 m -132.91 122.5 24.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.404 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 615' ' ' TYR . . . . . 0.464 ' CD1' ' CE1' ' A' ' 591' ' ' PHE . 0.2 OUTLIER -102.05 121.14 41.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 111.013 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 55.6 m -131.56 89.83 38.99 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.417 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . 0.563 ' HG3' ' CE2' ' A' ' 591' ' ' PHE . 18.3 Cg_endo -75.01 173.4 14.57 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.439 1.757 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . -88.57 -155.11 29.3 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.468 1.105 . . . . 0.0 111.032 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.2 48.07 1.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.757 . . . . 0.0 109.998 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 620' ' ' ASN . . . . . 0.413 ' ND2' ' OD1' ' A' ' 593' ' ' ASP . 3.8 m-20 62.76 134.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . 88.96 -25.1 10.4 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.499 1.124 . . . . 0.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 622' ' ' ALA . . . . . . . . . . . . . . . -123.01 104.68 9.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . 0.421 ' HB2' ' CG ' ' A' ' 602' ' ' ASN . . . -46.87 167.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 624' ' ' GLY . . . . . 0.42 ' HA3' ' HA ' ' A' ' 617' ' ' PRO . . . -120.52 -137.35 5.35 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 7.0 p -151.83 162.85 40.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 0.787 . . . . 0.0 110.377 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 626' ' ' ILE . . . . . 0.503 ' HA ' ' O ' ' A' ' 614' ' ' THR . 0.1 OUTLIER -120.08 125.97 74.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.65 122.81 48.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.419 1.075 . . . . 0.0 110.286 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.24 150.31 37.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.376 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 108.53 141.26 9.49 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.615 ' HB2' HG21 ' A' ' 612' ' ' THR . . . -59.6 115.92 14.52 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.465 0.744 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 163.94 34.31 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.519 1.799 . . . . 0.0 111.019 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.12 72.44 1.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.999 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 633' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.466 1.104 . . . . 0.0 111.046 -179.976 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 531' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 533' ' ' THR . . . 62.36 118.43 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . 0.439 ' C ' ' OG1' ' A' ' 533' ' ' THR . 20.2 m 68.81 -62.7 0.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 110.37 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . 0.481 ' HB ' ' CA ' ' A' ' 582' ' ' GLY . 1.0 OUTLIER 45.05 -172.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 110.412 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 534' ' ' ASN . . . . . 0.594 ' HB3' HG21 ' A' ' 610' ' ' THR . 0.4 OUTLIER -71.09 148.96 46.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . 0.47 ' HB3' ' CG2' ' A' ' 578' ' ' THR . 4.3 mtpt -142.32 147.46 36.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . 0.697 HG22 ' HA ' ' A' ' 610' ' ' THR . 1.9 t -115.09 134.62 57.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 37.7 m -100.57 128.75 46.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.4 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 1.8 t -126.47 129.43 71.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 539' ' ' TYR . . . . . 0.497 ' HB3' HG23 ' A' ' 614' ' ' THR . 0.3 OUTLIER -117.48 118.9 33.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.993 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 540' ' ' TYR . . . . . 0.45 ' CD1' ' N ' ' A' ' 541' ' ' LYS . 2.1 t80 -117.74 138.42 52.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 541' ' ' LYS . . . . . 0.45 ' N ' ' CD1' ' A' ' 540' ' ' TYR . 9.6 ttpt -93.55 114.62 27.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 542' ' ' LYS . . . . . 0.459 ' HA ' ' HA3' ' A' ' 543' ' ' GLY . 2.6 ttpt -84.19 142.6 30.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 543' ' ' GLY . . . . . 0.459 ' HA3' ' HA ' ' A' ' 542' ' ' LYS . . . 144.2 -130.13 3.87 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -0.028 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . 0.446 ' CD1' ' N ' ' A' ' 544' ' ' PHE . 7.5 m-85 -112.95 -119.13 0.3 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 0.755 . . . . 0.0 110.95 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -117.54 -52.45 2.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . 0.446 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 65.3 p -162.31 62.72 1.37 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.986 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 547' ' ' PRO . . . . . 0.446 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.4 Cg_endo -75.05 158.72 41.86 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.485 1.782 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 548' ' ' TYR . . . . . 0.513 ' CD1' ' HB2' ' A' ' 562' ' ' PRO . 2.6 m-85 -111.22 162.36 15.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . 0.638 HG21 ' HG2' ' A' ' 566' ' ' MET . 0.2 OUTLIER -123.19 139.06 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 550' ' ' HIS . . . . . 0.605 ' CE1' ' O ' ' A' ' 559' ' ' THR . 3.4 t-160 -127.01 113.98 17.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.559 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 551' ' ' TYR . . . . . 0.822 ' CE1' ' HB1' ' A' ' 589' ' ' ALA . 10.1 m-30 -113.76 164.71 13.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 552' ' ' ARG . . . . . 0.609 ' HB3' ' CZ3' ' A' ' 558' ' ' TRP . 0.0 OUTLIER -149.3 137.64 11.9 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 553' ' ' PRO . . . . . 0.554 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.2 Cg_endo -75.01 159.49 41.27 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.527 1.804 . . . . 0.0 110.982 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . 0.502 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -32.76 -70.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -134.79 83.85 0.28 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.544 1.153 . . . . 0.0 111.022 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -142.43 -90.23 0.14 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 557' ' ' SER . . . . . 0.554 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 18.1 t -161.69 -177.34 5.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.997 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 558' ' ' TRP . . . . . 0.609 ' CZ3' ' HB3' ' A' ' 552' ' ' ARG . 78.1 m95 -107.97 111.48 23.59 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . 0.605 ' O ' ' CE1' ' A' ' 550' ' ' HIS . 32.5 p -32.74 143.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.426 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 560' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -55.41 106.93 0.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 561' ' ' ALA . . . . . 0.486 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -64.81 131.74 95.25 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 562' ' ' PRO . . . . . 0.513 ' HB2' ' CD1' ' A' ' 548' ' ' TYR . 18.5 Cg_endo -74.96 141.67 72.47 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.976 -2.51 . . . . 0.0 111.037 -0.076 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . 0.473 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -41.37 -98.49 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 564' ' ' VAL . . . . . . . . . . . . . 1.5 t -135.15 156.49 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 109.309 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 566' ' ' MET . 0.0 OUTLIER -92.36 109.22 20.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.167 . . . . 0.0 109.329 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 566' ' ' MET . . . . . 0.638 ' HG2' HG21 ' A' ' 549' ' ' ILE . 0.0 OUTLIER -37.31 156.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 576' ' ' LYS . 0.3 OUTLIER -124.48 123.52 40.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.327 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . 0.417 ' HA ' ' O ' ' A' ' 574' ' ' TYR . 0.0 OUTLIER -51.18 131.98 28.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -67.13 -145.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -119.81 8.15 11.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 571' ' ' ILE . . . . . 0.515 HG22 ' N ' ' A' ' 572' ' ' SER . 35.1 mt -85.64 -97.07 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . 0.515 ' N ' HG22 ' A' ' 571' ' ' ILE . 1.0 OUTLIER 178.85 93.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.044 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 96.43 9.57 56.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . 0.417 ' O ' ' HA ' ' A' ' 568' ' ' ASP . 14.4 m-85 -103.23 159.27 15.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 0.806 . . . . 0.0 110.995 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 575' ' ' ALA . . . . . 0.57 ' HB1' ' SD ' ' A' ' 566' ' ' MET . . . -118.83 151.62 37.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 576' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 567' ' ' GLN . 0.0 OUTLIER -154.57 137.33 15.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 577' ' ' ILE . . . . . 0.98 HD12 ' N ' ' A' ' 578' ' ' THR . 0.2 OUTLIER -146.4 152.51 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 578' ' ' THR . . . . . 0.98 ' N ' HD12 ' A' ' 577' ' ' ILE . 41.9 m -121.45 143.07 49.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.38 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . 0.904 HG23 HD11 ' A' ' 577' ' ' ILE . 41.3 t -130.91 123.47 54.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 580' ' ' ASP . . . . . 0.468 ' O ' HG23 ' A' ' 581' ' ' ILE . 9.1 t0 -82.81 149.62 27.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 581' ' ' ILE . . . . . 0.993 ' HB ' ' HB3' ' A' ' 584' ' ' ALA . 30.0 pt -154.98 56.83 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . 0.481 ' CA ' ' HB ' ' A' ' 533' ' ' THR . . . -55.24 -16.8 9.85 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.533 1.146 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.11 49.39 2.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 0.743 . . . . 0.0 110.026 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 584' ' ' ALA . . . . . 0.993 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -164.15 141.96 7.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.68 -3.55 13.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.04 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 586' ' ' GLN . . . . . 0.66 ' HB3' HD22 ' A' ' 607' ' ' LEU . 14.3 mt-30 -147.44 138.03 23.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.339 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.5 HD21 ' HB3' ' A' ' 551' ' ' TYR . 2.8 tt -146.75 126.28 13.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . 0.518 ' HA ' ' O ' ' A' ' 606' ' ' TYR . 1.3 pm0 -90.68 143.58 26.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 589' ' ' ALA . . . . . 0.822 ' HB1' ' CE1' ' A' ' 551' ' ' TYR . . . -127.29 134.84 49.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.453 ' HB2' HD22 ' A' ' 605' ' ' ASN . . . -121.21 160.88 22.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 591' ' ' PHE . . . . . 0.546 ' CE2' ' HG3' ' A' ' 617' ' ' PRO . 7.6 m-85 -115.99 129.23 56.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.1 . . . . 0.0 110.955 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 592' ' ' ASN . . . . . 0.406 ' O ' ' O ' ' A' ' 548' ' ' TYR . 2.7 p-10 -139.87 136.78 34.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -67.1 -31.59 72.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . 0.466 ' O ' ' CB ' ' A' ' 595' ' ' ASN . . . -177.58 -40.76 0.06 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.458 1.099 . . . . 0.0 111.065 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 595' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 594' ' ' GLY . 2.6 m-20 158.46 80.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 0.758 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 166.93 -39.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -114.13 106.49 14.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 18.2 m95 -111.46 123.94 51.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 108.034 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.97 55.11 0.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 600' ' ' SER . . . . . 0.423 ' OG ' ' HB1' ' A' ' 590' ' ' ALA . 23.4 m -93.66 -75.29 0.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.02 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 601' ' ' ASN . . . . . 0.426 ' O ' ' CB ' ' A' ' 602' ' ' ASN . 2.2 t30 168.5 39.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 602' ' ' ASN . . . . . 0.426 ' CB ' ' O ' ' A' ' 601' ' ' ASN . 0.2 OUTLIER 76.92 -54.1 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 603' ' ' THR . . . . . 0.529 ' O ' ' CB ' ' A' ' 604' ' ' LYS . 0.9 OUTLIER 178.18 100.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.392 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 603' ' ' THR . 10.0 tptt 161.29 -26.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 605' ' ' ASN . . . . . 0.453 HD22 ' HB2' ' A' ' 590' ' ' ALA . 0.3 OUTLIER 38.84 -156.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 606' ' ' TYR . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 608' ' ' PHE . 82.3 m-85 -128.31 164.22 23.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . 0.66 HD22 ' HB3' ' A' ' 586' ' ' GLN . 13.5 mt -117.84 128.24 54.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 608' ' ' PHE . . . . . 0.691 ' HE1' HD13 ' A' ' 626' ' ' ILE . 23.9 m-85 -133.05 145.71 51.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 609' ' ' SER . . . . . 0.475 ' O ' HG13 ' A' ' 536' ' ' VAL . 19.8 t -111.8 165.26 12.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 610' ' ' THR . . . . . 0.737 HG23 HD11 ' A' ' 581' ' ' ILE . 73.6 p -41.0 163.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.398 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 117.88 -136.64 12.56 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 612' ' ' THR . . . . . . . . . . . . . 2.7 m -129.32 135.8 49.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 110.366 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 94.6 p -142.37 157.87 44.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 110.007 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . 0.497 HG23 ' HB3' ' A' ' 539' ' ' TYR . 4.1 m -134.18 114.95 13.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.16 . . . . 0.0 110.4 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 615' ' ' TYR . . . . . 0.411 ' HA ' HG23 ' A' ' 626' ' ' ILE . 0.1 OUTLIER -97.32 117.28 31.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 90.2 m -119.05 87.29 33.91 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.393 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . 0.546 ' HG3' ' CE2' ' A' ' 591' ' ' PHE . 18.3 Cg_endo -74.98 160.85 39.73 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.514 1.797 . . . . 0.0 111.034 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . -75.61 -155.17 5.14 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 49.2 m -136.7 45.21 2.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 0.777 . . . . 0.0 109.973 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 620' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 176.23 63.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . 37.6 49.14 1.81 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.511 1.132 . . . . 0.0 111.051 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 622' ' ' ALA . . . . . . . . . . . . . . . -122.98 104.53 9.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 0.753 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -45.47 118.33 1.72 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 624' ' ' GLY . . . . . . . . . . . . . . . -84.22 -128.78 1.68 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.128 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 12.8 p -151.57 158.54 43.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 0.757 . . . . 0.0 110.401 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 626' ' ' ILE . . . . . 0.691 HD13 ' HE1' ' A' ' 608' ' ' PHE . 0.2 OUTLIER -118.03 125.53 74.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.73 123.14 48.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.306 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.27 147.85 37.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 110.358 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 110.77 142.02 8.99 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -59.51 121.97 60.95 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.448 0.734 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . 0.491 ' HG2' ' CD2' ' A' ' 539' ' ' TYR . 18.3 Cg_endo -75.0 158.43 42.22 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.506 1.793 . . . . 0.0 111.02 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.46 73.75 1.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.045 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 633' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.122 . . . . 0.0 111.023 -179.966 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . -61.04 -66.7 2.51 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . 0.464 ' OG1' ' N ' ' A' ' 533' ' ' THR . 68.1 p -107.68 -87.1 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 0.741 . . . . 0.0 110.405 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . 0.618 HG22 ' OD1' ' A' ' 534' ' ' ASN . 1.3 m -167.79 -77.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.364 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 534' ' ' ASN . . . . . 0.618 ' OD1' HG22 ' A' ' 533' ' ' THR . 0.5 OUTLIER -67.16 144.98 55.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 579' ' ' VAL . 5.9 mtmp? -142.27 146.04 34.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . 0.991 HG21 HD13 ' A' ' 587' ' ' LEU . 5.9 m -115.16 121.08 66.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 94.7 m -102.44 124.11 47.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.36 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . 0.434 ' O ' ' HA ' ' A' ' 576' ' ' LYS . 14.2 t -125.2 138.09 55.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 539' ' ' TYR . . . . . 0.442 ' CE2' ' CB ' ' A' ' 569' ' ' ALA . 1.8 m-85 -116.93 121.73 42.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 540' ' ' TYR . . . . . 0.455 ' CE1' ' O ' ' A' ' 541' ' ' LYS . 2.6 t80 -118.51 139.76 50.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 111.021 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 541' ' ' LYS . . . . . 0.455 ' O ' ' CE1' ' A' ' 540' ' ' TYR . 0.2 OUTLIER -88.22 114.49 24.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 542' ' ' LYS . . . . . 0.484 ' HG3' ' CA ' ' A' ' 543' ' ' GLY . 2.6 ttpt -85.66 142.27 29.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 543' ' ' GLY . . . . . 0.484 ' CA ' ' HG3' ' A' ' 542' ' ' LYS . . . 146.62 -130.72 3.75 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.504 1.128 . . . . 0.0 111.028 0.022 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . 0.486 ' CD1' ' N ' ' A' ' 544' ' ' PHE . 5.5 m-85 -118.84 -128.44 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 0.778 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -114.64 -59.4 2.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . 0.445 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 2.4 m -137.04 62.04 37.45 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.984 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 547' ' ' PRO . . . . . 0.445 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.3 Cg_endo -75.01 145.07 30.96 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.53 1.805 . . . . 0.0 111.043 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -119.34 146.64 45.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.981 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . 0.595 HG12 ' CD2' ' A' ' 551' ' ' TYR . 0.4 OUTLIER -116.85 143.53 26.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -128.62 118.17 22.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.607 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 551' ' ' TYR . . . . . 0.595 ' CD2' HG12 ' A' ' 549' ' ' ILE . 0.4 OUTLIER -130.25 160.66 33.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 111.015 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 552' ' ' ARG . . . . . 0.491 ' HG3' ' N ' ' A' ' 553' ' ' PRO . 0.3 OUTLIER -138.59 153.6 72.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.336 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 553' ' ' PRO . . . . . 0.565 ' O ' ' C ' ' A' ' 554' ' ' ALA . 18.2 Cg_endo -75.04 153.55 41.65 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.52 1.8 . . . . 0.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . 0.565 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -27.38 -74.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -129.9 84.41 0.32 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 111.022 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -141.99 -91.58 0.17 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 557' ' ' SER . . . . . 0.481 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 30.4 t -164.62 179.97 6.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 0.778 . . . . 0.0 110.009 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 558' ' ' TRP . . . . . 0.44 ' NE1' ' HD3' ' A' ' 552' ' ' ARG . 62.3 m95 -106.98 114.49 28.6 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . 0.494 HG22 ' H ' ' A' ' 560' ' ' ALA . 21.5 m -46.66 173.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.375 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 560' ' ' ALA . . . . . 0.494 ' H ' HG22 ' A' ' 559' ' ' THR . . . -72.08 107.86 4.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 561' ' ' ALA . . . . . 0.516 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -67.47 134.55 92.93 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 562' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 561' ' ' ALA . 18.4 Cg_endo -74.99 148.45 91.78 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.985 -2.506 . . . . 0.0 111.01 -0.022 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -43.23 -100.31 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.46 1.1 . . . . 0.0 111.031 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 564' ' ' VAL . . . . . 0.519 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.8 t -135.93 157.92 38.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.489 0.758 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 566' ' ' MET . 7.2 tptp -86.19 115.83 24.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 566' ' ' MET . . . . . 0.615 ' SD ' ' HB1' ' A' ' 575' ' ' ALA . 0.1 OUTLIER -33.85 149.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 568' ' ' ASP . 15.0 mm-40 -118.13 110.22 17.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 567' ' ' GLN . 0.1 OUTLIER -37.0 144.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.546 ' HB2' ' HB3' ' A' ' 576' ' ' LYS . . . -85.77 -150.19 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -120.26 10.1 11.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.317 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 571' ' ' ILE . . . . . 0.562 HD12 ' HB3' ' A' ' 632' ' ' SER . 36.9 mm -82.56 -88.25 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 170.92 94.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.026 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 89.93 9.79 65.49 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.451 1.094 . . . . 0.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -103.68 158.35 16.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 0.763 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 575' ' ' ALA . . . . . 0.615 ' HB1' ' SD ' ' A' ' 566' ' ' MET . . . -115.94 151.87 34.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 576' ' ' LYS . . . . . 0.546 ' HB3' ' HB2' ' A' ' 569' ' ' ALA . 12.1 ptmt -153.38 131.12 11.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 577' ' ' ILE . . . . . 0.949 HD12 ' N ' ' A' ' 578' ' ' THR . 0.2 OUTLIER -128.63 150.41 34.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.247 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 578' ' ' THR . . . . . 0.949 ' N ' HD12 ' A' ' 577' ' ' ILE . 3.7 m -128.29 136.81 51.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.42 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . 0.786 HG23 HD11 ' A' ' 577' ' ' ILE . 97.5 t -130.93 127.84 61.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 580' ' ' ASP . . . . . 0.594 ' O ' HG23 ' A' ' 581' ' ' ILE . 0.2 OUTLIER -79.83 148.92 31.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 581' ' ' ILE . . . . . 0.902 HG21 HD12 ' A' ' 587' ' ' LEU . 16.6 pt -158.33 64.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . 0.536 ' O ' ' CB ' ' A' ' 583' ' ' SER . . . -68.08 53.31 0.41 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.552 1.157 . . . . 0.0 111.049 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 583' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 582' ' ' GLY . 0.5 OUTLIER 155.36 43.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 0.729 . . . . 0.0 110.034 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 584' ' ' ALA . . . . . 0.873 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -153.49 143.05 21.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 34.5 p -113.62 2.0 15.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.037 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -153.04 138.46 17.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.271 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.991 HD13 HG21 ' A' ' 536' ' ' VAL . 4.2 tt -135.85 133.83 38.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . 0.531 ' N ' HD23 ' A' ' 587' ' ' LEU . 38.3 tt0 -99.5 145.01 27.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.273 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 589' ' ' ALA . . . . . 0.415 ' CB ' ' HB3' ' A' ' 551' ' ' TYR . . . -142.21 144.51 33.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 1.015 ' HB2' ' ND2' ' A' ' 605' ' ' ASN . . . -131.48 163.16 28.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 591' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -116.4 127.51 54.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 592' ' ' ASN . . . . . 0.483 ' HB3' ' CE3' ' A' ' 598' ' ' TRP . 7.3 p30 -144.32 135.76 25.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -60.22 -54.0 50.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . 0.483 ' O ' ' CB ' ' A' ' 595' ' ' ASN . . . 178.36 40.06 0.06 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.133 . . . . 0.0 110.973 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 595' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 594' ' ' GLY . 6.9 t-20 80.5 81.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 596' ' ' ASN . . . . . 0.423 ' CB ' ' O ' ' A' ' 595' ' ' ASN . 0.7 OUTLIER 162.13 -28.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.249 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -139.53 109.14 6.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 598' ' ' TRP . . . . . 0.483 ' CE3' ' HB3' ' A' ' 592' ' ' ASN . 19.9 m95 -116.76 134.82 54.33 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.64 20.07 18.52 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 600' ' ' SER . . . . . 0.507 ' HB3' ' HB1' ' A' ' 590' ' ' ALA . 14.3 p -74.57 57.65 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 109.994 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 601' ' ' ASN . . . . . 0.486 ' O ' ' CB ' ' A' ' 602' ' ' ASN . 43.7 t-20 46.28 27.97 0.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 602' ' ' ASN . . . . . 0.486 ' CB ' ' O ' ' A' ' 601' ' ' ASN . 18.9 t30 81.34 -52.26 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 603' ' ' THR . . . . . 0.727 HG23 ' O ' ' A' ' 603' ' ' THR . 6.1 t -174.51 50.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 110.389 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.81 58.43 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 605' ' ' ASN . . . . . 1.015 ' ND2' ' HB2' ' A' ' 590' ' ' ALA . 1.3 m-20 -52.18 -175.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 606' ' ' TYR . . . . . 0.647 ' CG ' HD11 ' A' ' 626' ' ' ILE . 56.6 m-85 -130.31 147.68 52.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.098 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 3.3 mp -103.2 130.19 50.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 608' ' ' PHE . . . . . 0.556 ' CD1' ' O ' ' A' ' 587' ' ' LEU . 0.0 OUTLIER -128.78 135.97 49.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 111.0 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.08 167.16 19.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 0.0 110.007 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 610' ' ' THR . . . . . 0.84 ' HA ' HG12 ' A' ' 536' ' ' VAL . 34.3 p -51.82 165.59 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.413 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 113.21 -142.32 17.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.504 1.127 . . . . 0.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 612' ' ' THR . . . . . 0.596 HG21 ' CA ' ' A' ' 630' ' ' ALA . 19.6 m -113.24 131.95 55.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.75 . . . . 0.0 110.45 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 14.6 m -142.27 157.05 45.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.001 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . 0.642 ' O ' HG22 ' A' ' 626' ' ' ILE . 23.8 m -133.41 136.03 44.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 110.421 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 615' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -120.98 113.7 20.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 44.4 m -117.53 109.72 41.56 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.34 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.56 26.78 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.781 . . . . 0.0 111.003 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . -83.92 -157.37 25.26 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.131 . . . . 0.0 110.982 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . 0.414 ' OG ' ' N ' ' A' ' 620' ' ' ASN . 0.9 OUTLIER -73.43 -59.45 2.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 110.003 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 620' ' ' ASN . . . . . 0.414 ' N ' ' OG ' ' A' ' 619' ' ' SER . 71.5 m-20 -165.56 130.62 2.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . 51.52 20.53 5.55 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 622' ' ' ALA . . . . . . . . . . . . . . . -122.97 104.62 9.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 0.738 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -41.4 148.44 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 624' ' ' GLY . . . . . . . . . . . . . . . -106.65 -136.45 8.29 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 10.2 p -151.05 163.84 37.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 0.743 . . . . 0.0 110.418 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 626' ' ' ILE . . . . . 0.647 HD11 ' CG ' ' A' ' 606' ' ' TYR . 0.1 OUTLIER -119.36 136.25 57.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.342 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -123.95 121.79 36.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.92 150.66 35.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.407 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 99.63 143.87 15.3 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.588 1.18 . . . . 0.0 110.966 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.596 ' CA ' HG21 ' A' ' 612' ' ' THR . . . -59.03 117.33 20.53 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.473 0.749 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . 0.471 ' HG3' ' CG2' ' A' ' 614' ' ' THR . 18.3 Cg_endo -74.99 171.52 18.16 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.479 1.779 . . . . 0.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 632' ' ' SER . . . . . 0.562 ' HB3' HD12 ' A' ' 571' ' ' ILE . 12.4 m 51.06 20.68 0.87 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 110.006 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 633' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . -130.23 64.31 0.61 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 2.6 m -164.28 157.3 17.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 0.772 . . . . 0.0 110.394 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . 0.495 ' HA ' ' CA ' ' A' ' 582' ' ' GLY . 8.8 t -128.58 144.75 51.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.397 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 534' ' ' ASN . . . . . 0.513 ' CB ' HG21 ' A' ' 610' ' ' THR . 0.8 OUTLIER -110.5 178.01 4.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.328 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . 0.412 ' HB3' HG22 ' A' ' 578' ' ' THR . 8.5 mtmt -145.56 145.65 31.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . 0.757 HG22 ' O ' ' A' ' 579' ' ' VAL . 0.3 OUTLIER -115.41 113.3 43.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 16.8 m -101.03 123.41 45.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.431 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . 0.458 ' HB ' HD12 ' A' ' 577' ' ' ILE . 2.0 t -126.26 128.53 71.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 539' ' ' TYR . . . . . 0.547 ' CE1' ' HD2' ' A' ' 576' ' ' LYS . 3.5 m-85 -103.09 130.33 50.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 540' ' ' TYR . . . . . 0.612 ' CE1' ' O ' ' A' ' 541' ' ' LYS . 2.2 t80 -118.31 139.69 50.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 111.055 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 541' ' ' LYS . . . . . 0.612 ' O ' ' CE1' ' A' ' 540' ' ' TYR . 4.6 ttpt -91.25 123.75 34.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 542' ' ' LYS . . . . . 0.44 ' HG3' ' CA ' ' A' ' 543' ' ' GLY . 4.0 ttpt -80.41 138.4 36.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 543' ' ' GLY . . . . . 0.44 ' CA ' ' HG3' ' A' ' 542' ' ' LYS . . . 153.77 -128.43 2.4 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.117 . . . . 0.0 110.999 0.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -146.48 -88.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.744 . . . . 0.0 111.062 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 545' ' ' ASN . . . . . 0.512 ' O ' ' CB ' ' A' ' 546' ' ' SER . 18.6 m-80 -141.89 23.64 2.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.227 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 545' ' ' ASN . 1.9 t 87.19 72.87 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 158.21 42.07 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.553 1.817 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -95.41 144.52 25.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . 0.597 HG12 ' CD2' ' A' ' 551' ' ' TYR . 0.5 OUTLIER -116.56 142.88 28.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -129.38 117.05 19.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.597 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 551' ' ' TYR . . . . . 0.597 ' CD2' HG12 ' A' ' 549' ' ' ILE . 0.5 OUTLIER -129.14 161.21 30.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 552' ' ' ARG . . . . . 0.474 ' CZ ' ' HA2' ' A' ' 555' ' ' GLY . 0.2 OUTLIER -142.19 153.0 62.72 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 553' ' ' PRO . . . . . 0.723 ' O ' ' C ' ' A' ' 554' ' ' ALA . 18.4 Cg_endo -74.99 135.47 19.14 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.464 1.771 . . . . 0.0 111.051 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . 0.723 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -0.11 81.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 553' ' ' PRO . . . 33.57 70.94 0.12 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 553' ' ' PRO . . . -125.62 -94.51 0.97 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 557' ' ' SER . . . . . 0.43 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 0.0 OUTLIER -113.75 139.14 49.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 0.0 110.032 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 558' ' ' TRP . . . . . 0.44 ' NE1' ' HD3' ' A' ' 552' ' ' ARG . 55.3 m95 -97.57 103.32 15.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 108.022 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . 0.416 ' O ' ' O ' ' A' ' 558' ' ' TRP . 39.0 m -43.09 167.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 110.396 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -61.75 107.75 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 561' ' ' ALA . . . . . 0.501 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -70.05 133.32 87.94 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 562' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 561' ' ' ALA . 18.3 Cg_endo -74.98 144.62 81.54 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.039 -2.484 . . . . 0.0 110.982 -0.025 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . 0.487 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -38.2 -98.23 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 564' ' ' VAL . . . . . 0.509 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.6 t -136.88 157.71 36.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 0.751 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 566' ' ' MET . 0.0 OUTLIER -86.91 120.88 28.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 566' ' ' MET . . . . . 0.674 ' HB3' ' HB1' ' A' ' 575' ' ' ALA . 4.2 mmt -32.16 119.84 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . 0.451 ' O ' ' O ' ' A' ' 576' ' ' LYS . 0.2 OUTLIER -87.94 116.86 26.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -42.15 146.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -88.33 -147.45 0.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -125.91 7.79 7.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.306 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 571' ' ' ILE . . . . . . . . . . . . . 6.1 mm -80.09 -85.64 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 169.1 93.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.984 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 90.59 9.15 64.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.444 1.09 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.95 157.22 17.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 0.742 . . . . 0.0 111.001 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 575' ' ' ALA . . . . . 0.674 ' HB1' ' HB3' ' A' ' 566' ' ' MET . . . -118.11 155.24 30.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 576' ' ' LYS . . . . . 0.547 ' HD2' ' CE1' ' A' ' 539' ' ' TYR . 1.8 pttm -154.1 146.96 24.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 577' ' ' ILE . . . . . 1.047 ' O ' HD13 ' A' ' 577' ' ' ILE . 0.0 OUTLIER -134.82 147.73 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 578' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 3.7 m -127.16 130.98 50.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.422 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . 0.757 ' O ' HG22 ' A' ' 536' ' ' VAL . 2.7 t -129.88 128.95 65.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 580' ' ' ASP . . . . . 0.439 ' HA ' ' O ' ' A' ' 534' ' ' ASN . 0.1 OUTLIER -79.24 141.29 37.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 581' ' ' ILE . . . . . 0.861 HD11 HG23 ' A' ' 610' ' ' THR . 42.4 pt -143.82 54.09 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . 0.495 ' CA ' ' HA ' ' A' ' 533' ' ' THR . . . -68.14 58.87 0.4 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 583' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 582' ' ' GLY . 2.9 p 159.84 -24.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 110.019 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 584' ' ' ALA . . . . . 0.686 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -97.53 140.84 31.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.45 -3.69 25.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.01 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 586' ' ' GLN . . . . . 0.902 ' HB3' HD12 ' A' ' 607' ' ' LEU . 3.8 mt-30 -151.22 138.31 19.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.744 HD11 HG11 ' A' ' 579' ' ' VAL . 1.1 tt -133.29 133.84 43.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . 0.454 ' HA ' ' O ' ' A' ' 606' ' ' TYR . 1.7 pm0 -94.57 142.71 27.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 589' ' ' ALA . . . . . 0.504 ' CB ' ' HB3' ' A' ' 551' ' ' TYR . . . -138.48 138.97 38.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 109.255 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.68 ' HB1' ' HB3' ' A' ' 600' ' ' SER . . . -121.25 161.61 21.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.263 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 591' ' ' PHE . . . . . 0.756 ' CD1' ' CZ ' ' A' ' 615' ' ' TYR . 3.5 m-85 -121.97 129.46 52.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 592' ' ' ASN . . . . . 0.493 ' HB3' ' CE3' ' A' ' 598' ' ' TRP . 8.5 p30 -142.29 142.52 32.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -63.04 -30.45 71.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . 0.451 ' O ' ' ND2' ' A' ' 595' ' ' ASN . . . 169.08 -37.54 0.2 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 595' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 594' ' ' GLY . 1.1 m-80 159.89 79.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 6.5 t30 173.2 -35.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.346 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -127.08 88.56 2.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 598' ' ' TRP . . . . . 0.493 ' CE3' ' HB3' ' A' ' 592' ' ' ASN . 65.2 m95 -97.01 123.78 40.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 108.015 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -123.7 88.0 2.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 600' ' ' SER . . . . . 0.68 ' HB3' ' HB1' ' A' ' 590' ' ' ALA . 46.0 p -141.32 24.74 2.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.02 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 601' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 602' ' ' ASN . 0.4 OUTLIER 76.97 114.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 602' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 601' ' ' ASN . 43.9 m-80 -38.22 -37.47 0.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 603' ' ' THR . . . . . 0.478 ' O ' ' CB ' ' A' ' 604' ' ' LYS . 7.0 m -163.64 72.02 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.402 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . 0.478 ' CB ' ' O ' ' A' ' 603' ' ' THR . 0.0 OUTLIER 165.07 64.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -59.87 -159.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 606' ' ' TYR . . . . . 0.649 ' CD1' HD11 ' A' ' 626' ' ' ILE . 89.7 m-85 -121.62 130.14 53.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . 0.902 HD12 ' HB3' ' A' ' 586' ' ' GLN . 4.3 mm? -100.62 124.78 46.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 608' ' ' PHE . . . . . 0.583 ' CE1' ' HB3' ' A' ' 606' ' ' TYR . 13.2 m-85 -122.44 148.67 44.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 33.3 t -111.17 170.69 7.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.0 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 610' ' ' THR . . . . . 0.861 HG23 HD11 ' A' ' 581' ' ' ILE . 40.8 p -55.84 161.58 2.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 110.393 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 116.1 -132.81 10.42 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 612' ' ' THR . . . . . 0.562 HG21 ' CA ' ' A' ' 630' ' ' ALA . 24.4 m -128.34 130.29 47.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 0.784 . . . . 0.0 110.409 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 613' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 538' ' ' VAL . 53.3 m -140.99 157.7 44.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.038 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . 0.511 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 3.2 m -133.55 113.42 12.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.388 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 615' ' ' TYR . . . . . 0.756 ' CZ ' ' CD1' ' A' ' 591' ' ' PHE . 0.0 OUTLIER -97.34 114.15 25.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 75.7 m -118.5 111.11 38.29 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 0.0 110.418 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 174.05 13.43 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.481 1.779 . . . . 0.0 111.017 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . -107.2 -154.98 19.76 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 3.6 t -127.92 148.75 50.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 0.782 . . . . 0.0 109.974 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 620' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 62.0 64.73 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . 37.72 52.8 1.93 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 622' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 623' ' ' ALA . . . -123.01 104.51 9.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 0.788 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . 0.432 ' HB1' ' OH ' ' A' ' 606' ' ' TYR . . . -38.75 156.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 624' ' ' GLY . . . . . . . . . . . . . . . -113.85 -137.49 6.65 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 10.8 p -151.31 162.34 41.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 0.786 . . . . 0.0 110.424 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 626' ' ' ILE . . . . . 0.649 HD11 ' CD1' ' A' ' 606' ' ' TYR . 0.1 OUTLIER -119.97 125.19 74.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.263 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.51 123.56 49.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.93 148.91 37.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.376 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 105.58 142.17 11.0 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.562 ' CA ' HG21 ' A' ' 612' ' ' THR . . . -59.84 121.14 55.89 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . 0.457 ' HG3' ' CG2' ' A' ' 614' ' ' THR . 18.5 Cg_endo -74.97 154.51 42.68 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.446 1.761 . . . . 0.0 111.046 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 80.8 p -138.14 76.02 1.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.983 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 633' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . -129.08 63.48 0.62 Allowed Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 533' ' ' THR . 2.7 p -148.85 -110.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 0.737 . . . . 0.0 110.397 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . 0.469 ' CB ' ' HA2' ' A' ' 582' ' ' GLY . 71.8 p 34.22 -139.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.424 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 534' ' ' ASN . . . . . 0.734 ' HB3' HG21 ' A' ' 610' ' ' THR . 0.0 OUTLIER -80.45 139.3 36.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 579' ' ' VAL . 25.6 mtpt -143.24 152.22 41.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 578' ' ' THR . 1.0 OUTLIER -115.26 126.03 72.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 93.6 m -107.11 125.66 51.36 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.135 . . . . 0.0 110.396 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . 0.46 ' HB ' HD12 ' A' ' 577' ' ' ILE . 2.1 t -126.6 132.41 70.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 539' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -101.67 138.42 38.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 540' ' ' TYR . . . . . 0.739 ' CD1' ' CE2' ' A' ' 615' ' ' TYR . 14.6 t80 -127.01 139.36 53.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -89.67 113.46 24.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 542' ' ' LYS . . . . . 0.524 ' CE ' ' N ' ' A' ' 543' ' ' GLY . 0.0 OUTLIER -87.0 126.9 35.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.25 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 543' ' ' GLY . . . . . 0.524 ' N ' ' CE ' ' A' ' 542' ' ' LYS . . . 162.23 -126.51 1.57 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 0.0 111.037 -0.058 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -130.54 -46.7 1.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 0.776 . . . . 0.0 111.01 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 4.6 p30 177.21 -43.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . 0.45 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 0.7 OUTLIER 179.94 62.19 0.11 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.024 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 547' ' ' PRO . . . . . 0.45 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.1 Cg_endo -75.02 146.9 33.13 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.494 1.786 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 548' ' ' TYR . . . . . 0.433 ' CE2' ' HB3' ' A' ' 565' ' ' LYS . 3.6 m-85 -105.33 162.09 13.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 111.051 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . 0.57 HG12 ' CE2' ' A' ' 551' ' ' TYR . 0.5 OUTLIER -126.82 142.27 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.343 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -130.9 116.2 17.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.563 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 551' ' ' TYR . . . . . 0.673 ' HB2' HD21 ' A' ' 587' ' ' LEU . 0.2 OUTLIER -120.03 160.41 22.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 552' ' ' ARG . . . . . 0.578 ' HD3' ' CD1' ' A' ' 558' ' ' TRP . 0.3 OUTLIER -138.71 132.61 16.35 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.284 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 553' ' ' PRO . . . . . 0.527 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.3 Cg_endo -75.02 158.62 42.03 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.524 1.802 . . . . 0.0 110.963 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . . . . . . . . . . . -50.85 -22.81 2.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.26 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -55.93 -18.0 17.4 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . 0.416 ' C ' ' HD2' ' A' ' 552' ' ' ARG . . . 84.71 27.72 34.26 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 557' ' ' SER . . . . . 0.527 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 0.5 OUTLIER -104.13 150.6 24.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 0.779 . . . . 0.0 109.995 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 558' ' ' TRP . . . . . 0.578 ' CD1' ' HD3' ' A' ' 552' ' ' ARG . 86.0 m95 -124.09 99.35 6.2 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . . . . . . . . . 52.8 m -44.75 169.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.422 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 560' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -57.41 108.81 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 561' ' ' ALA . . . . . 0.474 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -77.07 132.62 70.36 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.448 1.093 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 562' ' ' PRO . . . . . 0.522 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.3 Cg_endo -75.01 145.02 82.77 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.942 -2.524 . . . . 0.0 111.015 -0.057 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . 0.522 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -36.63 -99.31 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.44 1.088 . . . . 0.0 110.977 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 564' ' ' VAL . . . . . 0.551 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 2.8 t -137.97 159.68 33.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 566' ' ' MET . 0.0 OUTLIER -86.13 122.85 30.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.338 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 566' ' ' MET . . . . . 0.787 ' HE3' HG21 ' A' ' 577' ' ' ILE . 0.0 OUTLIER -34.21 128.42 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 111.02 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . 0.458 ' O ' ' O ' ' A' ' 576' ' ' LYS . 1.3 mm-40 -96.45 112.31 24.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 567' ' ' GLN . 0.2 OUTLIER -38.17 144.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.416 ' HB2' ' HB3' ' A' ' 576' ' ' LYS . . . -91.29 -143.5 0.18 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -129.43 9.78 5.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 571' ' ' ILE . . . . . 0.401 ' O ' ' CB ' ' A' ' 572' ' ' SER . 46.9 mm -79.31 -84.69 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 571' ' ' ILE . 0.3 OUTLIER 166.3 91.78 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.142 . . . . 0.0 110.01 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 91.77 6.93 65.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.551 1.157 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . 0.404 ' CE2' ' OG ' ' A' ' 632' ' ' SER . 0.2 OUTLIER -103.91 155.7 18.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 0.737 . . . . 0.0 110.995 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 575' ' ' ALA . . . . . . . . . . . . . . . -115.75 157.12 24.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 576' ' ' LYS . . . . . 0.458 ' O ' ' O ' ' A' ' 567' ' ' GLN . 6.3 ptmt -153.94 140.36 18.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 577' ' ' ILE . . . . . 1.062 ' O ' HD13 ' A' ' 577' ' ' ILE . 0.0 OUTLIER -132.25 147.68 32.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 578' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 68.8 m -123.05 135.43 54.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.418 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 535' ' ' LYS . 3.5 t -130.08 118.88 45.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 580' ' ' ASP . . . . . 0.443 ' OD2' ' N ' ' A' ' 581' ' ' ILE . 3.7 t0 -86.02 148.87 25.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 581' ' ' ILE . . . . . 0.953 ' HB ' ' HB3' ' A' ' 584' ' ' ALA . 1.6 pt -128.07 -34.26 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . 0.469 ' HA2' ' CB ' ' A' ' 533' ' ' THR . . . 82.71 -53.49 4.84 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.433 1.083 . . . . 0.0 111.0 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 583' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 584' ' ' ALA . 0.4 OUTLIER -129.39 -46.99 1.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 110.021 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 584' ' ' ALA . . . . . 0.953 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -37.67 140.1 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 89.1 p -113.39 5.81 16.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -146.48 138.62 24.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.261 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.673 HD21 ' HB2' ' A' ' 551' ' ' TYR . 2.4 tt -149.11 134.85 18.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . 0.46 ' CB ' ' O ' ' A' ' 606' ' ' TYR . 2.6 pm0 -99.41 143.06 30.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 589' ' ' ALA . . . . . . . . . . . . . . . -131.7 134.07 45.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.408 ' C ' ' CD1' ' A' ' 591' ' ' PHE . . . -118.85 159.47 23.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 591' ' ' PHE . . . . . 0.569 ' CE2' ' CD1' ' A' ' 615' ' ' TYR . 0.3 OUTLIER -119.15 127.64 53.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.972 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 592' ' ' ASN . . . . . 0.428 ' HB2' ' NE1' ' A' ' 598' ' ' TRP . 10.2 p-10 -147.43 137.52 23.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 -75.73 -29.33 58.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 106.15 46.55 1.15 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -162.66 -40.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 171.94 -29.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -59.58 88.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 598' ' ' TRP . . . . . 0.428 ' NE1' ' HB2' ' A' ' 592' ' ' ASN . 11.7 m95 -113.81 146.82 39.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 107.981 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -120.16 14.11 12.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 600' ' ' SER . . . . . . . . . . . . . 83.4 p -67.24 -87.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.979 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 601' ' ' ASN . . . . . . . . . . . . . 1.5 t30 169.98 -60.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 164.11 -38.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 603' ' ' THR . . . . . 0.702 HG23 ' O ' ' A' ' 603' ' ' THR . 1.3 t -176.42 36.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.4 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -155.31 58.97 0.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 605' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -58.8 -157.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 606' ' ' TYR . . . . . 0.46 ' O ' ' CB ' ' A' ' 588' ' ' GLU . 20.7 m-85 -105.1 162.02 13.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 3.8 mt -130.5 120.84 24.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 608' ' ' PHE . . . . . 0.727 ' HZ ' HD13 ' A' ' 626' ' ' ILE . 28.3 m-85 -141.44 157.31 45.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 8.6 t -110.78 164.05 13.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.045 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 610' ' ' THR . . . . . 0.789 ' CG2' HD11 ' A' ' 581' ' ' ILE . 57.1 p -39.15 158.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.382 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 129.47 -137.24 9.43 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.463 1.102 . . . . 0.0 111.046 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 612' ' ' THR . . . . . 0.518 HG21 ' CA ' ' A' ' 630' ' ' ALA . 91.8 m -126.04 131.3 52.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.766 . . . . 0.0 110.421 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 613' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 538' ' ' VAL . 3.9 p -142.25 157.8 44.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.04 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . 0.497 HG23 ' HG3' ' A' ' 631' ' ' PRO . 12.1 m -134.66 114.36 12.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.42 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 615' ' ' TYR . . . . . 0.739 ' CE2' ' CD1' ' A' ' 540' ' ' TYR . 0.0 OUTLIER -99.69 114.63 27.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 111.022 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 85.7 m -117.58 109.73 41.45 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.415 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . 0.465 ' HD3' ' CE1' ' A' ' 615' ' ' TYR . 18.3 Cg_endo -75.04 -173.98 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.419 1.747 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . -98.7 -155.59 29.2 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.117 . . . . 0.0 110.98 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 21.3 p -101.38 -25.06 14.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 109.991 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 620' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -132.78 -145.23 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.257 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . -80.85 38.78 2.36 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.465 1.103 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 622' ' ' ALA . . . . . . . . . . . . . . . -112.07 103.43 11.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . . . . . . . . . . . -40.69 144.02 0.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 624' ' ' GLY . . . . . . . . . . . . . . . -96.04 -138.71 9.95 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 12.6 p -152.01 161.01 43.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.783 . . . . 0.0 110.396 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 626' ' ' ILE . . . . . 0.727 HD13 ' HZ ' ' A' ' 608' ' ' PHE . 0.1 OUTLIER -120.49 126.66 75.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -115.58 128.59 56.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.03 147.38 38.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 110.378 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 112.24 139.91 7.81 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.518 ' CA ' HG21 ' A' ' 612' ' ' THR . . . -61.31 119.82 49.63 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.486 0.757 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . 0.497 ' HG3' HG23 ' A' ' 614' ' ' THR . 18.3 Cg_endo -75.03 -177.18 3.3 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.483 1.78 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 632' ' ' SER . . . . . 0.404 ' OG ' ' CE2' ' A' ' 574' ' ' TYR . 12.6 m 40.21 28.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.021 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 633' ' ' GLY . . . . . 0.436 ' N ' ' C ' ' A' ' 631' ' ' PRO . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.449 1.093 . . . . 0.0 111.035 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . -74.12 101.97 1.29 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 11.3 p -148.72 175.15 11.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 0.785 . . . . 0.0 110.424 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . 0.519 ' HA ' ' CA ' ' A' ' 582' ' ' GLY . 0.4 OUTLIER -131.98 109.78 10.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.391 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 534' ' ' ASN . . . . . 0.599 ' HB3' HG21 ' A' ' 610' ' ' THR . 1.4 m-20 -101.72 175.99 5.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . 0.456 ' HB3' HG22 ' A' ' 578' ' ' THR . 0.4 OUTLIER -145.81 150.49 36.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 109.337 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . 0.653 HG13 ' HA ' ' A' ' 610' ' ' THR . 0.2 OUTLIER -118.78 120.39 63.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 22.9 m -102.58 121.99 43.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 110.414 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . . . . . . . . . 1.7 t -127.07 131.56 70.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 539' ' ' TYR . . . . . 0.571 ' CD2' ' HG2' ' A' ' 631' ' ' PRO . 3.5 m-85 -106.31 128.44 53.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 540' ' ' TYR . . . . . 0.616 ' HB2' ' CD2' ' A' ' 615' ' ' TYR . 2.3 t80 -119.32 139.64 51.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 541' ' ' LYS . . . . . 0.43 ' N ' ' CD1' ' A' ' 540' ' ' TYR . 1.5 tttt -92.11 112.37 24.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 542' ' ' LYS . . . . . 0.523 ' HA ' ' HA3' ' A' ' 543' ' ' GLY . 0.0 OUTLIER -104.86 143.88 32.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 543' ' ' GLY . . . . . 0.523 ' HA3' ' HA ' ' A' ' 542' ' ' LYS . . . 137.37 -132.6 6.02 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.461 1.101 . . . . 0.0 110.97 0.029 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . 0.431 ' CZ ' ' OD2' ' A' ' 593' ' ' ASP . 30.7 m-85 -91.8 -168.25 1.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 110.979 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -95.29 6.03 50.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 12.1 p 171.46 65.24 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.98 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 144.81 30.57 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.526 1.803 . . . . 0.0 111.019 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -124.13 148.66 47.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.019 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . 0.642 HG21 ' SD ' ' A' ' 566' ' ' MET . 1.2 tt -126.69 144.09 38.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 550' ' ' HIS . . . . . 0.425 ' CD2' ' HB2' ' A' ' 561' ' ' ALA . 0.8 OUTLIER -129.74 116.3 18.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.58 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 551' ' ' TYR . . . . . 0.576 ' CD2' HG12 ' A' ' 549' ' ' ILE . 0.3 OUTLIER -127.79 161.86 28.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.961 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 552' ' ' ARG . . . . . 0.978 ' O ' HD12 ' A' ' 587' ' ' LEU . 0.6 OUTLIER -139.61 153.97 70.83 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.274 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 553' ' ' PRO . . . . . 0.707 ' O ' ' C ' ' A' ' 554' ' ' ALA . 18.3 Cg_endo -74.95 133.76 17.06 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.508 1.793 . . . . 0.0 111.007 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . 0.707 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . 3.56 76.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 553' ' ' PRO . . . 34.04 72.94 0.09 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 553' ' ' PRO . . . -128.06 -91.47 0.71 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 557' ' ' SER . . . . . 0.449 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 0.0 OUTLIER -114.69 138.26 50.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 0.787 . . . . 0.0 110.011 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 558' ' ' TRP . . . . . 0.56 ' CE2' ' HD2' ' A' ' 552' ' ' ARG . 43.6 m95 -91.02 105.88 18.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 107.973 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . 0.415 ' O ' ' CE1' ' A' ' 550' ' ' HIS . 18.1 m -44.04 169.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.37 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 560' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -63.38 109.34 1.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 561' ' ' ALA . . . . . 0.497 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -74.5 133.86 76.82 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 562' ' ' PRO . . . . . 0.504 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.1 Cg_endo -75.0 147.25 88.82 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.995 -0.038 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . 0.504 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -41.75 -101.64 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.536 1.147 . . . . 0.0 111.022 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 564' ' ' VAL . . . . . 0.516 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.9 t -136.19 158.79 38.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.511 0.771 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 566' ' ' MET . 0.7 OUTLIER -88.01 116.31 26.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 566' ' ' MET . . . . . 0.642 ' SD ' HG21 ' A' ' 549' ' ' ILE . 0.0 OUTLIER -32.89 130.46 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 110.966 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 576' ' ' LYS . 4.0 mt-30 -93.14 117.9 30.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.356 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -46.39 134.07 9.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.478 ' HB2' ' HB3' ' A' ' 576' ' ' LYS . . . -76.31 -151.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -123.98 28.93 6.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 571' ' ' ILE . . . . . . . . . . . . . 4.4 mm -105.28 -84.92 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 168.67 105.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.997 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 79.86 9.7 86.46 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -105.21 157.66 17.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 575' ' ' ALA . . . . . 0.505 ' HB1' ' HG2' ' A' ' 566' ' ' MET . . . -120.59 157.93 28.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 576' ' ' LYS . . . . . 0.478 ' HB3' ' HB2' ' A' ' 569' ' ' ALA . 0.0 OUTLIER -156.03 145.1 20.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 577' ' ' ILE . . . . . 1.059 ' O ' HD13 ' A' ' 577' ' ' ILE . 0.0 OUTLIER -142.26 147.82 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 578' ' ' THR . . . . . 0.456 HG22 ' HB3' ' A' ' 535' ' ' LYS . 3.6 m -123.24 132.55 54.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.117 . . . . 0.0 110.374 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . 0.643 ' O ' HG23 ' A' ' 536' ' ' VAL . 58.6 t -129.92 127.54 63.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 580' ' ' ASP . . . . . 0.444 ' C ' HG23 ' A' ' 581' ' ' ILE . 28.7 t70 -80.15 150.0 30.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 581' ' ' ILE . . . . . 0.867 HD11 HG23 ' A' ' 610' ' ' THR . 39.9 pt -153.99 51.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . 0.519 ' CA ' ' HA ' ' A' ' 533' ' ' THR . . . -54.4 -18.68 10.52 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.85 45.27 2.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 0.776 . . . . 0.0 109.974 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 584' ' ' ALA . . . . . 0.831 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -163.49 141.2 7.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 32.9 p -110.26 0.45 18.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 110.007 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -149.13 138.43 21.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.978 HD12 ' O ' ' A' ' 552' ' ' ARG . 2.1 tp -137.1 130.95 31.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . 0.444 ' HA ' ' O ' ' A' ' 606' ' ' TYR . 1.7 pm0 -97.76 142.3 29.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 589' ' ' ALA . . . . . 0.581 ' HB1' HD11 ' A' ' 549' ' ' ILE . . . -138.79 139.18 38.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.427 ' C ' ' CD1' ' A' ' 591' ' ' PHE . . . -120.59 163.99 17.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 591' ' ' PHE . . . . . 0.809 ' CZ ' ' CD1' ' A' ' 615' ' ' TYR . 0.4 OUTLIER -123.57 127.81 48.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 592' ' ' ASN . . . . . 0.422 ' HB3' ' CD2' ' A' ' 598' ' ' TRP . 5.4 p30 -155.61 135.75 12.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . 0.431 ' OD2' ' CZ ' ' A' ' 544' ' ' PHE . 0.5 OUTLIER -71.61 -17.78 62.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 100.61 -9.86 58.95 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.52 1.137 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -94.94 41.28 1.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 0.776 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 29.8 m120 63.28 23.22 13.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 597' ' ' ASN . . . . . 0.412 ' O ' ' HA ' ' A' ' 592' ' ' ASN . 0.7 OUTLIER -112.29 91.06 3.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 109.273 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 598' ' ' TRP . . . . . 0.422 ' CD2' ' HB3' ' A' ' 592' ' ' ASN . 19.6 m95 -104.19 152.52 22.06 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -135.44 38.46 2.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 600' ' ' SER . . . . . . . . . . . . . 46.3 p -81.01 -95.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.014 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 601' ' ' ASN . . . . . 0.475 ' O ' ' CB ' ' A' ' 602' ' ' ASN . 3.6 m-20 -173.15 34.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.418 1.074 . . . . 0.0 109.27 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 602' ' ' ASN . . . . . 0.475 ' CB ' ' O ' ' A' ' 601' ' ' ASN . 2.1 t30 79.85 -54.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 603' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' ' 602' ' ' ASN . 5.0 t -176.26 33.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.441 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . 0.453 ' O ' ' O ' ' A' ' 605' ' ' ASN . 0.0 OUTLIER -116.55 -33.09 5.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 605' ' ' ASN . . . . . 0.453 ' O ' ' O ' ' A' ' 604' ' ' LYS . 0.6 OUTLIER 40.15 -162.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 606' ' ' TYR . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 608' ' ' PHE . 34.3 m-85 -130.28 162.29 29.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.992 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 5.1 mp -115.95 124.33 50.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 608' ' ' PHE . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 606' ' ' TYR . 7.8 m-85 -122.53 147.13 46.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 42.5 t -111.4 164.62 12.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.998 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 610' ' ' THR . . . . . 0.867 HG23 HD11 ' A' ' 581' ' ' ILE . 32.4 p -48.38 157.84 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 110.333 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 117.67 -157.35 15.17 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.432 1.082 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 612' ' ' THR . . . . . . . . . . . . . 2.4 m -104.59 128.3 52.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 0.74 . . . . 0.0 110.38 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 67.7 p -142.62 157.94 44.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.979 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . 0.547 HG23 ' CB ' ' A' ' 539' ' ' TYR . 2.3 m -133.51 113.0 11.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.417 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 615' ' ' TYR . . . . . 0.809 ' CD1' ' CZ ' ' A' ' 591' ' ' PHE . 0.0 OUTLIER -97.16 115.22 27.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 616' ' ' THR . . . . . 0.433 ' O ' ' HA3' ' A' ' 624' ' ' GLY . 89.5 m -116.7 110.72 41.98 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.359 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . 0.524 ' HD3' ' CE1' ' A' ' 615' ' ' TYR . 18.3 Cg_endo -75.03 -170.78 0.83 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.473 1.775 . . . . 0.0 110.986 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . -102.94 -152.5 23.85 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.485 1.115 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 61.4 p -123.17 -44.0 2.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 0.725 . . . . 0.0 110.004 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 620' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 621' ' ' GLY . 2.6 m-20 -105.98 68.36 0.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 621' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 620' ' ' ASN . . . 36.26 53.2 1.29 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 622' ' ' ALA . . . . . 0.467 ' O ' ' C ' ' A' ' 623' ' ' ALA . . . -122.9 108.1 12.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 0.767 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . 0.467 ' C ' ' O ' ' A' ' 622' ' ' ALA . . . -35.28 133.67 0.32 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 624' ' ' GLY . . . . . 0.433 ' HA3' ' O ' ' A' ' 616' ' ' THR . . . -95.47 -135.14 8.06 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.445 1.09 . . . . 0.0 111.042 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 9.4 p -151.71 164.77 36.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 0.754 . . . . 0.0 110.414 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 626' ' ' ILE . . . . . 0.519 HG23 ' HA ' ' A' ' 615' ' ' TYR . 0.1 OUTLIER -120.94 126.86 75.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -111.27 122.66 48.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.309 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.71 148.07 37.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.437 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 112.46 143.76 9.03 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.467 1.104 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -59.68 128.36 86.3 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . 0.571 ' HG2' ' CD2' ' A' ' 539' ' ' TYR . 18.5 Cg_endo -74.96 162.97 36.33 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.532 1.807 . . . . 0.0 111.018 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 80.5 p -153.34 76.28 1.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.997 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 633' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 -179.973 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . 117.94 161.41 11.97 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 16.8 m -116.27 155.95 27.48 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.543 0.79 . . . . 0.0 110.398 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 2.1 p -77.51 127.92 33.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 110.42 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 534' ' ' ASN . . . . . 0.421 ' O ' ' HA ' ' A' ' 580' ' ' ASP . 1.3 m-20 -108.63 173.99 6.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . 0.453 ' HB3' ' CG2' ' A' ' 578' ' ' THR . 39.9 mtmt -145.38 160.9 40.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . 0.704 HG12 ' O ' ' A' ' 579' ' ' VAL . 6.3 p -128.81 134.88 63.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 21.7 m -101.55 124.14 46.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.381 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . 0.469 ' HB ' HD12 ' A' ' 577' ' ' ILE . 1.4 t -126.98 127.12 69.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 539' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -111.83 125.79 54.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 540' ' ' TYR . . . . . 0.926 ' HB3' ' HB3' ' A' ' 575' ' ' ALA . 5.4 t80 -107.68 140.55 40.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 111.009 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 541' ' ' LYS . . . . . 0.525 ' O ' ' CE1' ' A' ' 540' ' ' TYR . 12.3 tttt -96.11 134.03 39.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 542' ' ' LYS . . . . . 0.518 ' CG ' ' O ' ' A' ' 544' ' ' PHE . 21.3 ttmt -97.96 109.8 22.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 543' ' ' GLY . . . . . 0.489 ' HA3' ' O ' ' A' ' 541' ' ' LYS . . . 92.23 176.28 42.05 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 0.085 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . 0.518 ' O ' ' CG ' ' A' ' 542' ' ' LYS . 72.0 m-85 -50.24 -174.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 0.753 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 545' ' ' ASN . . . . . 0.484 ' H ' ' ND2' ' A' ' 545' ' ' ASN . 1.5 p30 -72.86 -56.15 5.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 78.5 p -177.76 76.61 0.23 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.043 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 547' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 141.74 26.98 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.503 1.791 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 548' ' ' TYR . . . . . 0.501 ' CZ ' ' HB2' ' A' ' 565' ' ' LYS . 7.7 m-85 -79.74 142.75 35.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . 0.938 HD11 ' CE2' ' A' ' 551' ' ' TYR . 0.0 OUTLIER -117.48 140.21 41.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.345 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 550' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -124.47 120.28 31.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.613 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 551' ' ' TYR . . . . . 0.938 ' CE2' HD11 ' A' ' 549' ' ' ILE . 0.1 OUTLIER -134.3 160.71 37.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 111.0 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 552' ' ' ARG . . . . . 0.76 ' C ' HD12 ' A' ' 587' ' ' LEU . 0.0 OUTLIER -145.8 164.05 27.79 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 553' ' ' PRO . . . . . 0.476 ' HD2' ' O ' ' A' ' 557' ' ' SER . 18.5 Cg_endo -74.93 160.39 40.41 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.534 1.808 . . . . 0.0 111.014 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -35.56 -67.29 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -137.1 83.45 0.26 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.121 . . . . 0.0 110.947 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -142.61 -92.87 0.18 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 557' ' ' SER . . . . . 0.492 ' O ' ' HB2' ' A' ' 552' ' ' ARG . 37.6 t -162.53 169.25 20.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 0.745 . . . . 0.0 109.993 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 558' ' ' TRP . . . . . 0.523 ' CD2' ' HB3' ' A' ' 552' ' ' ARG . 76.0 m95 -100.05 143.64 30.02 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . 0.54 HG22 ' H ' ' A' ' 560' ' ' ALA . 93.0 m -71.22 175.45 5.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 560' ' ' ALA . . . . . 0.54 ' H ' HG22 ' A' ' 559' ' ' THR . . . -68.1 108.01 2.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 561' ' ' ALA . . . . . 0.509 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -66.47 133.99 94.42 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 562' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 561' ' ' ALA . 18.4 Cg_endo -74.92 146.85 87.81 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 121.047 -2.48 . . . . 0.0 111.001 -0.11 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . 0.482 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -37.37 -97.83 0.01 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.454 1.096 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 564' ' ' VAL . . . . . 0.486 HG23 ' CE1' ' A' ' 551' ' ' TYR . 1.4 t -136.88 158.02 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.455 0.738 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . 0.501 ' HB2' ' CZ ' ' A' ' 548' ' ' TYR . 1.0 OUTLIER -94.89 111.65 23.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 566' ' ' MET . . . . . 0.543 ' CE ' HG23 ' A' ' 577' ' ' ILE . 0.1 OUTLIER -35.87 129.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . 0.444 ' O ' ' O ' ' A' ' 576' ' ' LYS . 0.0 OUTLIER -102.52 124.8 48.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.276 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.94 150.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.518 ' HB2' ' HB3' ' A' ' 576' ' ' LYS . . . -88.27 -139.63 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -131.73 5.81 4.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 571' ' ' ILE . . . . . 0.41 HG22 ' N ' ' A' ' 572' ' ' SER . 23.4 mt -81.27 -87.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . 0.41 ' N ' HG22 ' A' ' 571' ' ' ILE . 0.3 OUTLIER 171.63 94.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.977 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 91.27 8.26 64.64 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -103.44 159.37 15.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.476 0.751 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 575' ' ' ALA . . . . . 0.926 ' HB3' ' HB3' ' A' ' 540' ' ' TYR . . . -116.3 154.89 29.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 576' ' ' LYS . . . . . 0.518 ' HB3' ' HB2' ' A' ' 569' ' ' ALA . 8.0 ptmt -153.67 134.39 13.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.243 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 577' ' ' ILE . . . . . 1.039 ' O ' HD13 ' A' ' 577' ' ' ILE . 0.0 OUTLIER -144.07 147.33 19.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 578' ' ' THR . . . . . 0.534 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 99.5 m -118.72 139.24 51.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.349 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . 0.704 ' O ' HG12 ' A' ' 536' ' ' VAL . 85.2 t -131.93 135.17 59.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 580' ' ' ASP . . . . . 0.421 ' HA ' ' O ' ' A' ' 534' ' ' ASN . 6.1 t70 -92.31 148.34 22.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 581' ' ' ILE . . . . . 1.029 HD11 ' CG2' ' A' ' 610' ' ' THR . 1.1 pt -112.44 -21.41 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . 38.6 88.66 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 70.12 59.98 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 0.747 . . . . 0.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 584' ' ' ALA . . . . . 0.985 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -164.24 145.83 8.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.18 6.35 16.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.959 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -151.36 138.98 19.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.317 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.76 HD12 ' C ' ' A' ' 552' ' ' ARG . 0.0 OUTLIER -146.95 137.91 23.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . 0.45 ' O ' ' HA ' ' A' ' 551' ' ' TYR . 3.1 pm0 -93.26 143.76 25.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 0.0 110.34 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 589' ' ' ALA . . . . . 0.56 ' HB3' ' CE2' ' A' ' 608' ' ' PHE . . . -138.88 146.99 41.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . . . . . . . . . . . -133.3 162.75 30.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 591' ' ' PHE . . . . . 0.808 ' CE1' ' CD1' ' A' ' 615' ' ' TYR . 1.0 OUTLIER -124.0 138.22 54.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 111.036 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 592' ' ' ASN . . . . . 0.589 ' OD1' ' CE3' ' A' ' 598' ' ' TRP . 0.9 OUTLIER -150.27 155.84 40.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . . . . . . . . . 29.4 p-10 -82.72 -29.44 29.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . -172.6 -52.1 0.04 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 14.7 t30 168.96 69.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 176.63 -44.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 597' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -100.16 83.67 2.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 598' ' ' TRP . . . . . 0.589 ' CE3' ' OD1' ' A' ' 592' ' ' ASN . 33.4 m95 -93.7 127.61 39.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.559 1.162 . . . . 0.0 108.014 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -93.61 13.67 21.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 600' ' ' SER . . . . . . . . . . . . . 38.1 p -58.07 -96.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.953 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 601' ' ' ASN . . . . . 0.427 ' O ' ' CB ' ' A' ' 602' ' ' ASN . 0.9 OUTLIER 170.87 40.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.15 . . . . 0.0 109.338 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 602' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 601' ' ' ASN . 1.8 t-20 76.22 -55.02 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 603' ' ' THR . . . . . 0.753 HG23 ' O ' ' A' ' 603' ' ' THR . 5.4 t -175.2 51.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 110.423 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 605' ' ' ASN . 1.2 mmtm -154.66 61.27 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 605' ' ' ASN . . . . . 0.408 ' O ' ' O ' ' A' ' 604' ' ' LYS . 26.0 m-20 -55.54 -166.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 606' ' ' TYR . . . . . 0.589 ' HB2' ' CZ ' ' A' ' 608' ' ' PHE . 79.7 m-85 -124.42 163.22 22.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.56 1.163 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . 0.77 HD23 ' N ' ' A' ' 607' ' ' LEU . 0.1 OUTLIER -108.55 130.77 55.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 608' ' ' PHE . . . . . 0.589 ' CZ ' ' HB2' ' A' ' 606' ' ' TYR . 40.5 m-85 -128.58 144.51 51.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.147 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 43.5 t -112.83 169.59 8.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.113 . . . . 0.0 110.026 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 610' ' ' THR . . . . . 1.029 ' CG2' HD11 ' A' ' 581' ' ' ILE . 51.2 p -58.27 165.83 1.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.418 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 114.49 -126.45 7.28 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.519 1.137 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 612' ' ' THR . . . . . 0.704 HG21 ' HB2' ' A' ' 630' ' ' ALA . 1.5 m -126.78 134.37 50.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 0.785 . . . . 0.0 110.407 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.32 157.75 44.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.011 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . 0.495 ' O ' ' CG2' ' A' ' 626' ' ' ILE . 84.8 m -132.64 131.36 41.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.436 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 615' ' ' TYR . . . . . 0.808 ' CD1' ' CE1' ' A' ' 591' ' ' PHE . 0.2 OUTLIER -109.51 116.45 31.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.082 . . . . 0.0 111.0 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 52.4 m -120.15 89.91 43.76 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 110.396 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . 0.577 ' HG3' ' CD2' ' A' ' 591' ' ' PHE . 18.4 Cg_endo -75.0 168.61 24.46 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.484 1.781 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . -82.06 -159.72 25.47 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.502 1.126 . . . . 0.0 111.044 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -123.57 -50.79 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 0.0 109.955 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 620' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -94.21 65.75 3.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . 40.06 51.05 3.49 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 622' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 623' ' ' ALA . . . -122.42 104.79 9.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 622' ' ' ALA . . . -38.62 130.64 1.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 624' ' ' GLY . . . . . . . . . . . . . . . -93.35 -134.74 7.15 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.476 1.11 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -152.26 170.52 19.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 0.777 . . . . 0.0 110.416 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 626' ' ' ILE . . . . . 0.495 ' CG2' ' O ' ' A' ' 614' ' ' THR . 0.1 OUTLIER -121.89 134.25 65.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.01 121.7 41.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.78 148.77 36.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.435 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 106.63 140.74 9.92 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.704 ' HB2' HG21 ' A' ' 612' ' ' THR . . . -60.6 119.37 43.15 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.458 0.74 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 167.22 27.55 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.531 1.806 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -173.02 79.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.969 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 633' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.534 1.147 . . . . 0.0 111.018 179.98 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . 45.97 -169.8 0.03 OUTLIER Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 26.5 m -157.5 145.85 19.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 110.354 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 66.3 p -139.71 155.89 47.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.375 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 534' ' ' ASN . . . . . 0.47 ' O ' ' HG3' ' A' ' 535' ' ' LYS . 1.9 m-20 -109.43 172.35 6.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' A' ' 534' ' ' ASN . 5.1 mtpp -139.76 156.13 46.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . 0.743 HG22 ' O ' ' A' ' 579' ' ' VAL . 2.6 m -125.04 119.24 55.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 3.9 m -101.25 122.78 44.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.394 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 576' ' ' LYS . 1.4 t -127.06 128.63 70.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 539' ' ' TYR . . . . . 0.409 ' CD2' ' HG2' ' A' ' 631' ' ' PRO . 7.3 m-85 -104.8 131.06 52.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 540' ' ' TYR . . . . . 0.643 ' CD1' ' CE2' ' A' ' 591' ' ' PHE . 81.2 t80 -115.27 138.73 50.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -88.7 113.85 24.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 542' ' ' LYS . . . . . 0.467 ' HA ' ' HA3' ' A' ' 543' ' ' GLY . 7.4 ttpt -93.65 139.44 30.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 543' ' ' GLY . . . . . 0.467 ' HA3' ' HA ' ' A' ' 542' ' ' LYS . . . 155.83 -134.03 3.96 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.453 1.096 . . . . 0.0 110.997 0.04 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -118.48 -75.82 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.55 -50.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . 0.44 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 0.4 OUTLIER -168.35 62.58 0.54 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.042 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 547' ' ' PRO . . . . . 0.44 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.3 Cg_endo -75.03 148.82 35.67 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.452 1.764 . . . . 0.0 110.949 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 548' ' ' TYR . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 565' ' ' LYS . 2.1 m-85 -104.03 160.91 14.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 111.003 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . 0.928 HD11 ' HB1' ' A' ' 589' ' ' ALA . 0.2 OUTLIER -128.8 142.74 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 550' ' ' HIS . . . . . 0.433 ' CD2' ' HB2' ' A' ' 561' ' ' ALA . 1.0 OUTLIER -124.09 116.43 22.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.557 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 551' ' ' TYR . . . . . 0.915 ' CE2' HD13 ' A' ' 577' ' ' ILE . 0.2 OUTLIER -126.47 160.77 29.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.933 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 552' ' ' ARG . . . . . 0.603 ' HD3' ' CD1' ' A' ' 558' ' ' TRP . 0.3 OUTLIER -145.02 151.06 47.81 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.248 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 553' ' ' PRO . . . . . 0.487 ' O ' ' C ' ' A' ' 554' ' ' ALA . 18.3 Cg_endo -75.0 154.04 42.19 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.479 1.778 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . 0.487 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -32.53 -73.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -124.23 86.28 0.37 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.537 1.148 . . . . 0.0 111.025 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -146.96 -91.05 0.1 OUTLIER Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 557' ' ' SER . . . . . 0.485 ' O ' ' HD2' ' A' ' 553' ' ' PRO . 29.5 t -167.85 -178.86 3.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 0.0 109.979 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 558' ' ' TRP . . . . . 0.603 ' CD1' ' HD3' ' A' ' 552' ' ' ARG . 64.9 m95 -109.95 114.84 28.71 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . 0.467 HG22 ' H ' ' A' ' 560' ' ' ALA . 8.7 m -47.21 173.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.41 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 560' ' ' ALA . . . . . 0.467 ' H ' HG22 ' A' ' 559' ' ' THR . . . -71.61 107.51 4.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 561' ' ' ALA . . . . . 0.472 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -69.29 134.66 89.06 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 562' ' ' PRO . . . . . 0.521 ' O ' ' O ' ' A' ' 563' ' ' GLY . 18.2 Cg_endo -75.0 149.71 94.28 Favored 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 120.998 -2.501 . . . . 0.0 110.98 0.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . 0.521 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -44.8 -105.81 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.467 1.105 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 564' ' ' VAL . . . . . 0.497 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 1.2 t -136.83 158.17 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 0.759 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 548' ' ' TYR . 0.6 OUTLIER -82.99 117.93 23.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 566' ' ' MET . . . . . 0.588 ' HG2' HG21 ' A' ' 549' ' ' ILE . 0.7 OUTLIER -33.43 148.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 111.013 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . 0.462 ' O ' ' O ' ' A' ' 576' ' ' LYS . 0.6 OUTLIER -109.57 111.85 23.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 567' ' ' GLN . 0.0 OUTLIER -38.2 146.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -90.48 -145.69 0.18 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -130.29 6.01 4.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 571' ' ' ILE . . . . . 0.583 HG21 ' CB ' ' A' ' 632' ' ' SER . 80.7 mt -78.95 -81.14 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 167.49 99.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.013 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 82.06 8.93 85.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.52 1.137 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -104.56 154.59 19.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.773 . . . . 0.0 110.987 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 575' ' ' ALA . . . . . 0.532 ' HB1' ' HB3' ' A' ' 566' ' ' MET . . . -115.8 156.52 25.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 576' ' ' LYS . . . . . 0.462 ' O ' ' O ' ' A' ' 567' ' ' GLN . 2.9 ptmt -152.85 146.87 25.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 577' ' ' ILE . . . . . 0.915 HD13 ' CE2' ' A' ' 551' ' ' TYR . 0.8 OUTLIER -137.54 151.62 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 578' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 536' ' ' VAL . 3.9 m -128.73 128.74 44.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.429 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . 0.743 ' O ' HG22 ' A' ' 536' ' ' VAL . 22.6 t -130.78 136.52 58.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 580' ' ' ASP . . . . . 0.492 ' O ' ' CG2' ' A' ' 581' ' ' ILE . 13.2 t70 -79.79 150.29 30.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 581' ' ' ILE . . . . . 0.803 ' HB ' ' HB3' ' A' ' 584' ' ' ALA . 34.7 pt -156.14 50.94 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 581' ' ' ILE . . . -32.7 -78.22 0.03 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.454 1.096 . . . . 0.0 110.971 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 583' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.81 -30.33 40.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 109.975 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 584' ' ' ALA . . . . . 0.803 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -60.94 136.57 58.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.256 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 80.7 p -115.46 -2.66 12.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.035 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 586' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -151.53 138.03 18.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.338 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.725 HD11 HG11 ' A' ' 579' ' ' VAL . 6.0 tt -138.6 134.74 34.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 109.258 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . 0.586 ' N ' HD23 ' A' ' 587' ' ' LEU . 0.9 OUTLIER -100.73 145.77 28.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 589' ' ' ALA . . . . . 0.928 ' HB1' HD11 ' A' ' 549' ' ' ILE . . . -140.09 141.02 36.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.444 ' HB2' ' OD1' ' A' ' 605' ' ' ASN . . . -122.17 162.33 21.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 591' ' ' PHE . . . . . 0.802 ' CE1' ' CE1' ' A' ' 615' ' ' TYR . 12.9 m-85 -129.97 127.37 39.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 592' ' ' ASN . . . . . 0.414 ' HA ' ' O ' ' A' ' 597' ' ' ASN . 2.3 p30 -149.59 138.21 20.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . 0.426 ' CG ' ' CB ' ' A' ' 597' ' ' ASN . 42.8 p-10 -51.92 -32.53 33.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.078 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 114.47 8.37 16.68 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.487 1.117 . . . . 0.0 110.967 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 595' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 -124.27 -94.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 596' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -121.18 -1.04 9.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 597' ' ' ASN . . . . . 0.426 ' CB ' ' CG ' ' A' ' 593' ' ' ASP . 2.4 t30 -92.04 92.64 8.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 598' ' ' TRP . . . . . . . . . . . . . 55.7 m95 -117.38 135.06 54.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 108.041 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -141.04 106.65 5.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 600' ' ' SER . . . . . 0.429 ' CB ' ' OD1' ' A' ' 605' ' ' ASN . 0.1 OUTLIER -161.28 -69.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.992 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 601' ' ' ASN . . . . . 0.471 ' O ' ' CB ' ' A' ' 602' ' ' ASN . 1.3 m-20 162.28 -28.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 602' ' ' ASN . . . . . 0.471 ' CB ' ' O ' ' A' ' 601' ' ' ASN . 1.2 m120 80.76 111.3 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 603' ' ' THR . . . . . 0.756 HG23 ' O ' ' A' ' 603' ' ' THR . 0.7 OUTLIER 48.52 34.77 5.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.417 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' A' ' 605' ' ' ASN . 0.0 OUTLIER -148.07 -63.95 0.26 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 605' ' ' ASN . . . . . 0.464 ' O ' ' O ' ' A' ' 604' ' ' LYS . 15.2 m-80 42.89 -168.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 606' ' ' TYR . . . . . 0.617 ' HB2' ' CZ ' ' A' ' 608' ' ' PHE . 96.9 m-85 -108.12 162.8 13.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 1.4 mp -115.03 120.23 39.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 608' ' ' PHE . . . . . 0.617 ' CZ ' ' HB2' ' A' ' 606' ' ' TYR . 9.0 m-85 -123.34 146.85 47.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 111.024 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 609' ' ' SER . . . . . . . . . . . . . 22.9 t -111.45 171.47 7.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.968 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 610' ' ' THR . . . . . 0.747 HG23 HD11 ' A' ' 581' ' ' ILE . 44.2 p -43.56 166.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.385 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 105.52 -164.68 14.02 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.513 1.133 . . . . 0.0 111.052 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 612' ' ' THR . . . . . 0.435 HG21 ' CA ' ' A' ' 630' ' ' ALA . 14.1 m -103.27 132.57 49.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.765 . . . . 0.0 110.383 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 613' ' ' SER . . . . . . . . . . . . . 14.5 m -139.38 157.23 46.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.991 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . 0.501 ' O ' ' HA ' ' A' ' 626' ' ' ILE . 7.0 m -133.69 114.72 13.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.408 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 615' ' ' TYR . . . . . 0.802 ' CE1' ' CE1' ' A' ' 591' ' ' PHE . 29.0 t80 -96.66 117.49 31.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 111.037 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 73.6 m -115.51 117.45 40.51 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.377 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . 0.452 ' HG3' ' CE1' ' A' ' 540' ' ' TYR . 18.2 Cg_endo -74.98 158.55 42.22 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.524 1.802 . . . . 0.0 110.972 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . -80.21 -155.71 11.47 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.481 1.113 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . 0.428 ' O ' ' ND2' ' A' ' 620' ' ' ASN . 61.2 m -73.4 -57.17 4.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 0.0 109.978 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 620' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 619' ' ' SER . 47.9 m-80 -166.29 130.32 2.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . 45.72 25.26 1.45 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 622' ' ' ALA . . . . . . . . . . . . . . . -123.16 104.68 9.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 0.749 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . 0.488 ' HB1' ' OH ' ' A' ' 606' ' ' TYR . . . -42.95 141.73 1.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 624' ' ' GLY . . . . . 0.404 ' C ' HG23 ' A' ' 625' ' ' THR . . . -104.15 -134.0 8.01 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.454 1.096 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . 0.404 HG23 ' C ' ' A' ' 624' ' ' GLY . 19.7 p -151.8 162.37 41.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 110.365 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 626' ' ' ILE . . . . . 0.55 HG23 ' HA ' ' A' ' 615' ' ' TYR . 0.2 OUTLIER -121.02 128.11 76.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.14 124.64 51.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.87 148.41 38.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.455 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 105.12 143.55 12.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.435 ' CA ' HG21 ' A' ' 612' ' ' THR . . . -59.23 120.38 47.19 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.538 0.787 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . 0.484 ' HG3' ' CG2' ' A' ' 614' ' ' THR . 18.4 Cg_endo -74.98 162.1 37.72 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.484 1.781 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 632' ' ' SER . . . . . 0.583 ' CB ' HG21 ' A' ' 571' ' ' ILE . 0.1 OUTLIER 43.43 23.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.018 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 633' ' ' GLY . . . . . 0.459 ' N ' ' C ' ' A' ' 631' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.521 1.138 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 531' ' ' GLY . . . . . 0.439 ' O ' ' CB ' ' A' ' 532' ' ' THR . . . 115.12 -6.73 21.52 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . 0.439 ' CB ' ' O ' ' A' ' 531' ' ' GLY . 2.5 m 79.21 -3.03 2.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 0.778 . . . . 0.0 110.365 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 39.6 p -98.67 158.72 15.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.414 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 534' ' ' ASN . . . . . 0.621 ' HB3' HG21 ' A' ' 610' ' ' THR . 1.3 m-20 -86.93 172.9 9.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . 0.577 ' HB3' HG22 ' A' ' 578' ' ' THR . 1.9 mptt -144.48 145.26 31.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . 0.644 HG13 ' HA ' ' A' ' 610' ' ' THR . 0.2 OUTLIER -114.6 121.63 67.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 537' ' ' THR . . . . . . . . . . . . . 11.2 m -101.44 123.32 45.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.404 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 538' ' ' VAL . . . . . 0.547 HG13 ' HB2' ' A' ' 613' ' ' SER . 2.1 t -125.3 131.44 72.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 539' ' ' TYR . . . . . 0.429 ' HA ' ' O ' ' A' ' 575' ' ' ALA . 2.3 m-85 -107.11 118.98 38.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 540' ' ' TYR . . . . . 0.59 ' CD2' ' CZ ' ' A' ' 591' ' ' PHE . 42.6 t80 -113.08 139.11 48.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 7.0 ttpp -86.57 113.21 22.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 542' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -82.32 139.04 34.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 157.08 -131.32 2.89 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 0.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 544' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -122.35 -77.74 0.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 0.743 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 545' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -155.51 -51.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.244 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . 0.437 ' N ' ' HD3' ' A' ' 547' ' ' PRO . 2.2 m -169.94 62.9 0.45 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.026 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 547' ' ' PRO . . . . . 0.437 ' HD3' ' N ' ' A' ' 546' ' ' SER . 18.2 Cg_endo -74.93 159.06 42.05 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.501 1.79 . . . . 0.0 110.964 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 548' ' ' TYR . . . . . 0.565 ' CE1' ' HB2' ' A' ' 565' ' ' LYS . 2.1 m-85 -118.43 147.4 43.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 549' ' ' ILE . . . . . 0.615 HG12 ' CD2' ' A' ' 551' ' ' TYR . 0.3 OUTLIER -117.13 143.77 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.281 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 550' ' ' HIS . . . . . 0.465 ' NE2' ' HB2' ' A' ' 561' ' ' ALA . 0.8 OUTLIER -129.77 118.7 22.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.573 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 551' ' ' TYR . . . . . 0.615 ' CD2' HG12 ' A' ' 549' ' ' ILE . 0.5 OUTLIER -128.95 160.87 31.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 552' ' ' ARG . . . . . 0.568 ' HD3' ' CE2' ' A' ' 558' ' ' TRP . 6.8 ptt-85 -141.02 173.59 4.74 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 553' ' ' PRO . . . . . 0.602 ' O ' ' C ' ' A' ' 554' ' ' ALA . 18.4 Cg_endo -74.99 160.44 40.19 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.546 1.814 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 554' ' ' ALA . . . . . 0.602 ' C ' ' O ' ' A' ' 553' ' ' PRO . . . -22.52 -54.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . 0.526 ' HA2' HH21 ' A' ' 552' ' ' ARG . . . -174.08 80.07 0.08 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.128 . . . . 0.0 111.048 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -138.06 -95.29 0.35 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 557' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.53 146.51 47.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 0.766 . . . . 0.0 110.024 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 558' ' ' TRP . . . . . 0.568 ' CE2' ' HD3' ' A' ' 552' ' ' ARG . 22.3 m95 -86.64 120.48 28.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 108.02 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 559' ' ' THR . . . . . 0.422 ' O ' ' CE1' ' A' ' 550' ' ' HIS . 4.8 m -43.17 167.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.381 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 560' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -65.81 107.69 1.89 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 561' ' ' ALA . . . . . 0.49 ' HA ' ' C ' ' A' ' 562' ' ' PRO . . . -75.64 134.0 73.06 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 562' ' ' PRO . . . . . 0.49 ' C ' ' HA ' ' A' ' 561' ' ' ALA . 18.3 Cg_endo -75.05 148.2 91.08 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 120.967 -2.514 . . . . 0.0 110.993 0.014 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . 0.486 ' O ' ' O ' ' A' ' 562' ' ' PRO . . . -45.81 -104.15 0.01 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 564' ' ' VAL . . . . . 0.542 ' CG2' ' OH ' ' A' ' 551' ' ' TYR . 2.0 t -135.88 157.92 38.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 0.772 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . 0.565 ' HB2' ' CE1' ' A' ' 548' ' ' TYR . 0.0 OUTLIER -90.29 117.7 29.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 566' ' ' MET . . . . . 0.535 ' HE1' ' HB2' ' A' ' 540' ' ' TYR . 3.6 mtp -36.27 127.44 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . 0.459 ' O ' ' O ' ' A' ' 576' ' ' LYS . 2.0 mt-30 -100.16 118.23 36.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 567' ' ' GLN . 0.2 OUTLIER -39.19 150.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.46 ' HA ' ' CD ' ' A' ' 576' ' ' LYS . . . -89.15 -146.02 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -126.57 6.37 6.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.266 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 571' ' ' ILE . . . . . 0.481 HG22 ' N ' ' A' ' 572' ' ' SER . 4.3 mm -81.39 -93.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 572' ' ' SER . . . . . 0.481 ' N ' HG22 ' A' ' 571' ' ' ILE . 0.2 OUTLIER 177.47 93.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.996 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . 91.9 9.68 62.19 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 574' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -103.51 158.8 16.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 0.787 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 575' ' ' ALA . . . . . 0.429 ' O ' ' HA ' ' A' ' 539' ' ' TYR . . . -117.16 154.88 30.31 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 576' ' ' LYS . . . . . 0.46 ' CD ' ' HA ' ' A' ' 569' ' ' ALA . 0.0 OUTLIER -150.85 132.49 14.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 577' ' ' ILE . . . . . 1.067 ' O ' HD13 ' A' ' 577' ' ' ILE . 0.0 OUTLIER -133.97 148.3 30.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 578' ' ' THR . . . . . 0.577 HG22 ' HB3' ' A' ' 535' ' ' LYS . 3.9 m -120.7 135.64 55.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.397 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 579' ' ' VAL . . . . . 0.798 HG11 HD11 ' A' ' 587' ' ' LEU . 4.8 t -128.96 122.71 57.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 580' ' ' ASP . . . . . 0.442 ' HA ' ' O ' ' A' ' 534' ' ' ASN . 0.0 OUTLIER -87.32 129.56 34.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 581' ' ' ILE . . . . . 0.948 ' HB ' ' HB3' ' A' ' 584' ' ' ALA . 18.6 pt -107.11 -46.57 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . 0.537 ' O ' ' CB ' ' A' ' 583' ' ' SER . . . 49.51 92.47 0.01 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.462 1.101 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 583' ' ' SER . . . . . 0.537 ' CB ' ' O ' ' A' ' 582' ' ' GLY . 0.4 OUTLIER 88.52 41.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 109.968 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 584' ' ' ALA . . . . . 0.948 ' HB3' ' HB ' ' A' ' 581' ' ' ILE . . . -154.41 145.52 22.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 585' ' ' SER . . . . . . . . . . . . . 78.7 p -113.66 0.5 14.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 109.976 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 586' ' ' GLN . . . . . 0.469 ' O ' ' CA ' ' A' ' 554' ' ' ALA . 91.3 mt-30 -151.48 138.95 19.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . 0.798 HD11 HG11 ' A' ' 579' ' ' VAL . 0.0 OUTLIER -141.21 142.83 33.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 0.0 109.258 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . 0.439 ' CD ' ' CB ' ' A' ' 605' ' ' ASN . 6.6 tt0 -92.14 146.98 23.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 589' ' ' ALA . . . . . 0.649 ' HB3' ' CE2' ' A' ' 608' ' ' PHE . . . -142.85 138.69 30.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 590' ' ' ALA . . . . . 0.576 ' HB2' HD21 ' A' ' 605' ' ' ASN . . . -128.29 162.84 26.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 591' ' ' PHE . . . . . 0.59 ' CZ ' ' CD2' ' A' ' 540' ' ' TYR . 1.3 m-85 -121.7 127.42 50.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 592' ' ' ASN . . . . . 0.518 ' HB3' ' CE3' ' A' ' 598' ' ' TRP . 11.2 p30 -142.95 136.04 28.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 593' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 597' ' ' ASN . 20.2 p-10 -61.0 -28.15 68.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 594' ' ' GLY . . . . . . . . . . . . . . . 102.05 2.65 51.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 595' ' ' ASN . . . . . 0.443 ' O ' ' HB2' ' A' ' 596' ' ' ASN . 1.4 t-20 -111.64 -32.95 6.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 0.74 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 596' ' ' ASN . . . . . 0.443 ' HB2' ' O ' ' A' ' 595' ' ' ASN . 7.7 t-20 172.11 -37.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 597' ' ' ASN . . . . . 0.461 ' N ' ' OD1' ' A' ' 593' ' ' ASP . 15.6 t-20 -48.3 117.47 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 598' ' ' TRP . . . . . 0.518 ' CE3' ' HB3' ' A' ' 592' ' ' ASN . 57.0 m95 -122.28 131.37 53.88 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 599' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.27 159.84 37.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 600' ' ' SER . . . . . . . . . . . . . 20.1 m -166.92 -73.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.95 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 601' ' ' ASN . . . . . . . . . . . . . 6.8 t30 169.88 -63.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 602' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -142.98 -81.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 603' ' ' THR . . . . . . . . . . . . . 15.0 t -159.51 24.39 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.392 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 604' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 605' ' ' ASN . 0.0 OUTLIER -150.75 19.46 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 605' ' ' ASN . . . . . 0.576 HD21 ' HB2' ' A' ' 590' ' ' ALA . 4.8 t-20 36.46 -150.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 606' ' ' TYR . . . . . 0.675 ' CD2' HD11 ' A' ' 626' ' ' ILE . 10.7 m-85 -124.17 154.15 40.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 6.4 mp -103.96 121.2 42.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 608' ' ' PHE . . . . . 0.649 ' CE2' ' HB3' ' A' ' 589' ' ' ALA . 32.5 m-85 -122.16 142.72 50.11 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 110.958 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 609' ' ' SER . . . . . 0.568 ' O ' HG13 ' A' ' 536' ' ' VAL . 4.8 t -112.53 166.39 11.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.982 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 610' ' ' THR . . . . . 0.831 ' CG2' HD11 ' A' ' 581' ' ' ILE . 40.2 p -56.07 160.37 2.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.405 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 118.18 -126.87 7.05 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 612' ' ' THR . . . . . 0.638 HG21 ' HB2' ' A' ' 630' ' ' ALA . 2.5 m -128.4 134.71 48.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 0.78 . . . . 0.0 110.405 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 613' ' ' SER . . . . . 0.547 ' HB2' HG13 ' A' ' 538' ' ' VAL . 8.0 m -137.63 158.12 45.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 110.027 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . 0.543 HG23 ' HG3' ' A' ' 631' ' ' PRO . 3.7 m -133.0 115.63 15.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.439 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 615' ' ' TYR . . . . . 0.505 ' HA ' HG23 ' A' ' 626' ' ' ILE . 0.1 OUTLIER -97.86 117.16 31.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 111.02 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 616' ' ' THR . . . . . . . . . . . . . 18.6 m -117.61 116.45 36.75 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.402 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . 0.588 ' HG3' ' CE2' ' A' ' 540' ' ' TYR . 18.3 Cg_endo -75.02 178.56 7.1 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.535 1.808 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . -119.56 -156.08 9.92 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 40.1 t -130.38 145.96 51.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 0.736 . . . . 0.0 110.006 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 620' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 60.67 62.08 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . 38.01 54.62 1.95 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.483 1.114 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 622' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 623' ' ' ALA . . . -123.11 104.97 9.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 623' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 622' ' ' ALA . . . -39.42 145.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 624' ' ' GLY . . . . . . . . . . . . . . . -102.12 -134.54 8.46 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 8.2 p -151.38 163.55 38.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 0.747 . . . . 0.0 110.399 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 626' ' ' ILE . . . . . 0.675 HD11 ' CD2' ' A' ' 606' ' ' TYR . 0.1 OUTLIER -121.16 127.84 75.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 627' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.82 123.77 51.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 628' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.22 149.12 37.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 110.338 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 629' ' ' GLY . . . . . . . . . . . . . . . 107.99 139.88 9.14 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.638 ' HB2' HG21 ' A' ' 612' ' ' THR . . . -60.07 120.84 54.31 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.555 0.797 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . 0.543 ' HG3' HG23 ' A' ' 614' ' ' THR . 18.2 Cg_endo -75.02 160.74 39.72 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.523 1.802 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 632' ' ' SER . . . . . . . . . . . . . 8.7 t -142.78 86.04 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.993 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 633' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.51 1.131 . . . . 0.0 110.959 179.963 . . . . . . . . 0 0 . 1 stop_ save_