data_1ed7_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 1ed7 _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 656' ' ' TRP . . . . . 0.632 ' CH2' ' CG2' ' A' ' 658' ' ' VAL . 30.2 t90 . . . . . 0 N--CA 1.493 1.719 0 CA-C-O 121.222 0.534 . . . . 0.0 109.958 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -119.94 122.66 41.71 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.206 -0.934 . . . . 0.0 110.447 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 658' ' ' VAL . . . . . 0.632 ' CG2' ' CH2' ' A' ' 656' ' ' TRP . 2.9 t -73.23 145.51 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.265 -0.897 . . . . 0.0 109.884 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 659' ' ' ASN . . . . . 0.455 ' HB2' ' O ' ' A' ' 658' ' ' VAL . 3.0 m-80 60.56 53.31 4.17 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.22 -0.925 . . . . 0.0 110.059 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 8.0 m -136.34 173.5 11.63 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.165 -0.96 . . . . 0.0 110.388 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -110.84 112.96 25.18 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.247 -0.908 . . . . 0.0 109.975 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -108.31 153.07 23.77 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.192 -0.943 . . . . 0.0 110.414 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 663' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 664' ' ' ALA . 60.4 p -112.97 148.34 35.26 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.323 -0.861 . . . . 0.0 109.912 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 664' ' ' ALA . . . . . 0.534 ' CB ' ' HD3' ' A' ' 680' ' ' PRO . . . -43.24 147.75 0.34 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.296 -0.877 . . . . 0.0 110.102 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 76.94 20.52 75.89 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 666' ' ' GLN . . . . . 0.472 ' HB2' ' HB3' ' A' ' 677' ' ' CYS . 0.9 OUTLIER -88.41 172.6 9.26 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.238 -1.154 . . . . 0.0 110.101 179.888 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 667' ' ' LEU . . . . . 0.456 ' HG ' ' HG3' ' A' ' 676' ' ' LYS . 1.2 tt -137.65 111.47 8.25 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.308 -0.87 . . . . 0.0 110.437 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 668' ' ' VAL . . . . . 0.542 HG23 ' CH2' ' A' ' 696' ' ' TRP . 2.3 m -116.36 161.45 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.206 -0.934 . . . . 0.0 109.9 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 4.0 p . . . . . 0 N--CA 1.492 1.659 0 O-C-N 121.143 -0.973 . . . . 0.0 110.279 179.729 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 674' ' ' THR . . . . . . . . . . . . . 7.2 m . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.19 0.519 . . . . 0.0 110.062 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 675' ' ' TYR . . . . . 0.593 ' CE1' ' HB3' ' A' ' 698' ' ' LEU . 18.0 m-85 -142.18 147.51 36.72 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.22 -0.925 . . . . 0.0 110.52 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . 0.456 ' HG3' ' HG ' ' A' ' 667' ' ' LEU . 0.0 OUTLIER -130.15 107.57 9.4 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.37 -0.831 . . . . 0.0 110.343 -179.804 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . 0.472 ' HB3' ' HB2' ' A' ' 666' ' ' GLN . 0.1 OUTLIER -61.31 136.02 57.91 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.224 -0.922 . . . . 0.0 110.144 179.847 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.428 HD22 ' OE1' ' A' ' 697' ' ' GLN . 1.9 mp -120.48 -3.66 9.88 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.147 -0.971 . . . . 0.0 110.466 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 679' ' ' GLN . . . . . 0.441 ' HB2' ' CB ' ' A' ' 695' ' ' LEU . 0.0 OUTLIER -135.87 131.27 18.95 Favored Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 121.109 -0.994 . . . . 0.0 110.201 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 680' ' ' PRO . . . . . 0.536 ' O ' ' ND1' ' A' ' 681' ' ' HIS . 3.1 Cg_exo -62.16 109.04 0.75 Allowed 'Trans proline' 0 C--N 1.315 -1.225 0 O-C-N 123.508 1.267 . . . . 0.0 110.842 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 681' ' ' HIS . . . . . 0.536 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 8.4 m-70 -155.62 -168.98 2.97 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.417 -0.802 . . . . 0.0 110.108 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 24.9 m -117.83 125.29 50.27 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.145 -0.972 . . . . 0.0 110.527 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.79 136.86 47.25 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.226 -0.921 . . . . 0.0 109.771 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . 0.514 ' O ' ' N ' ' A' ' 686' ' ' GLY . 1.6 pt? -132.47 167.48 19.88 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.174 -0.954 . . . . 0.0 110.779 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -63.4 71.6 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.475 -0.765 . . . . 0.0 110.316 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 686' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 178.02 -31.94 0.07 OUTLIER Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 687' ' ' TRP . . . . . 0.405 ' HB2' HD21 ' A' ' 684' ' ' LEU . 18.3 m0 -88.55 36.27 0.79 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.282 -1.128 . . . . 0.0 109.808 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 688' ' ' GLU . . . . . 0.624 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 2.1 mt-10 -86.91 -46.2 0.52 Allowed Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 121.355 -0.84 . . . . 0.0 110.808 -179.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 689' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.5 Cg_endo -68.09 -5.78 15.58 Favored 'Trans proline' 0 C--N 1.314 -1.244 0 O-C-N 123.206 1.109 . . . . 0.0 110.22 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 690' ' ' SER . . . . . 0.497 ' CB ' ' CE1' ' A' ' 675' ' ' TYR . 1.3 p 66.78 51.98 0.99 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.331 -0.855 . . . . 0.0 109.691 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -79.62 9.39 5.06 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.213 -0.929 . . . . 0.0 110.586 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 692' ' ' VAL . . . . . 0.417 ' O ' HG23 ' A' ' 692' ' ' VAL . 15.8 m -134.23 80.05 53.97 Favored Pre-proline 0 N--CA 1.492 1.633 0 O-C-N 121.168 -0.957 . . . . 0.0 109.905 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -59.54 -23.4 70.78 Favored 'Trans proline' 0 C--N 1.311 -1.412 0 O-C-N 123.675 1.355 . . . . 0.0 110.244 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -44.57 -27.06 0.43 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.296 -0.878 . . . . 0.0 109.685 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 695' ' ' LEU . . . . . 0.441 ' CB ' ' HB2' ' A' ' 679' ' ' GLN . 4.3 pp -137.5 -3.29 1.91 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.299 -0.876 . . . . 0.0 110.791 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 696' ' ' TRP . . . . . 0.542 ' CH2' HG23 ' A' ' 668' ' ' VAL . 0.7 OUTLIER -102.54 104.44 14.85 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.041 -1.037 . . . . 0.0 110.546 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 697' ' ' GLN . . . . . 0.43 ' O ' ' HB2' ' A' ' 676' ' ' LYS . 7.0 tp60 -99.74 85.25 3.06 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.277 -0.889 . . . . 0.0 109.696 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . 0.593 ' HB3' ' CE1' ' A' ' 675' ' ' TYR . 0.5 OUTLIER -87.36 167.31 14.15 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.207 -0.933 . . . . 0.0 110.807 -179.397 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 699' ' ' GLN . . . . . 0.409 ' N ' ' CD1' ' A' ' 698' ' ' LEU . 2.0 pt20 . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.39 -0.819 . . . . 0.0 110.069 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 656' ' ' TRP . . . . . 0.438 ' HB2' ' HB ' ' A' ' 668' ' ' VAL . 54.0 t90 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.2 0.524 . . . . 0.0 110.365 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -114.83 140.8 48.64 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.19 -0.944 . . . . 0.0 110.169 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 658' ' ' VAL . . . . . . . . . . . . . 5.9 p -73.16 160.07 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.349 -0.844 . . . . 0.0 110.861 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 57.29 57.09 4.66 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.299 -0.875 . . . . 0.0 110.544 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 3.4 t -140.27 169.66 17.26 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.176 -0.953 . . . . 0.0 110.221 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -117.1 111.41 19.47 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.196 -0.94 . . . . 0.0 109.957 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -100.36 158.52 15.83 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.185 -0.947 . . . . 0.0 110.365 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 34.0 p -108.41 163.68 13.0 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.332 -0.855 . . . . 0.0 109.925 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 664' ' ' ALA . . . . . 0.449 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -60.61 119.33 7.88 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.279 -0.888 . . . . 0.0 110.281 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 665' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 97.38 28.31 8.61 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 666' ' ' GLN . . . . . 0.51 ' CB ' ' HB2' ' A' ' 677' ' ' CYS . 0.8 OUTLIER -86.48 177.37 7.43 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.262 -1.14 . . . . 0.0 110.069 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 1.9 tt -140.5 101.09 4.03 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.215 -0.928 . . . . 0.0 110.541 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 668' ' ' VAL . . . . . 0.438 ' HB ' ' HB2' ' A' ' 656' ' ' TRP . 4.2 m -115.57 169.5 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.321 -0.862 . . . . 0.0 109.626 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 41.0 p . . . . . 0 N--CA 1.493 1.685 0 O-C-N 120.994 -1.067 . . . . 0.0 110.553 179.904 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 674' ' ' THR . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.492 1.649 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 675' ' ' TYR . . . . . 0.596 ' CE2' ' HB3' ' A' ' 698' ' ' LEU . 16.8 m-85 -133.67 158.76 42.43 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.172 -0.955 . . . . 0.0 110.923 -179.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . 0.48 ' HG2' ' O ' ' A' ' 697' ' ' GLN . 0.9 OUTLIER -140.3 135.32 32.12 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.4 -0.812 . . . . 0.0 109.823 179.545 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . 0.551 ' SG ' ' CH2' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -81.27 144.77 31.31 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.155 -0.965 . . . . 0.0 110.061 -179.877 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.9 -15.8 11.2 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.302 -0.873 . . . . 0.0 110.489 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 679' ' ' GLN . . . . . 0.429 ' HA ' ' HB2' ' A' ' 664' ' ' ALA . 47.9 mt-30 -138.65 142.48 34.4 Favored Pre-proline 0 N--CA 1.492 1.633 0 O-C-N 121.166 -0.959 . . . . 0.0 110.391 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 680' ' ' PRO . . . . . 0.521 ' O ' ' ND1' ' A' ' 681' ' ' HIS . 3.2 Cg_exo -61.92 105.0 0.35 Allowed 'Trans proline' 0 C--N 1.313 -1.302 0 O-C-N 123.617 1.325 . . . . 0.0 110.842 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 681' ' ' HIS . . . . . 0.521 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 14.5 m-70 -147.27 -161.26 1.29 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.299 -0.876 . . . . 0.0 110.029 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 682' ' ' THR . . . . . 0.52 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 21.5 m -130.65 135.23 47.64 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.098 -1.001 . . . . 0.0 110.673 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 59.1 m -90.37 149.49 22.26 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.275 -0.891 . . . . 0.0 110.108 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . 0.526 ' CD2' ' N ' ' A' ' 684' ' ' LEU . 0.7 OUTLIER -151.42 -177.75 6.26 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.344 -0.847 . . . . 0.0 110.233 179.824 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -64.29 74.75 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.238 -0.914 . . . . 0.0 110.011 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 686' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 175.04 -32.06 0.09 OUTLIER Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.626 -1.39 . . . . 0.0 109.626 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 687' ' ' TRP . . . . . 0.52 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 38.9 m0 -86.38 33.38 0.63 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.172 -1.193 . . . . 0.0 110.216 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 688' ' ' GLU . . . . . 0.588 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 0.7 OUTLIER -90.17 -48.44 0.38 Allowed Pre-proline 0 N--CA 1.496 1.841 0 O-C-N 121.222 -0.924 . . . . 0.0 110.759 -179.666 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 689' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.7 Cg_endo -70.54 -0.99 8.41 Favored 'Trans proline' 0 C--N 1.315 -1.205 0 O-C-N 123.258 1.136 . . . . 0.0 110.801 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 690' ' ' SER . . . . . 0.462 ' OG ' ' O ' ' A' ' 690' ' ' SER . 4.0 p 60.89 56.77 2.78 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.287 -0.883 . . . . 0.0 109.917 -179.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 691' ' ' ASN . . . . . 0.4 ' C ' ' HD3' ' A' ' 693' ' ' PRO . 8.3 m-80 -79.44 -16.42 56.16 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.337 -0.852 . . . . 0.0 110.195 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 692' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 692' ' ' VAL . 18.6 m -116.87 78.48 9.33 Favored Pre-proline 0 N--CA 1.489 1.52 0 O-C-N 121.168 -0.957 . . . . 0.0 110.217 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 693' ' ' PRO . . . . . 0.4 ' HD3' ' C ' ' A' ' 691' ' ' ASN . 3.0 Cg_exo -60.14 -14.88 30.96 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 O-C-N 123.664 1.349 . . . . 0.0 110.433 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -50.35 -32.37 17.13 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.216 -0.928 . . . . 0.0 110.063 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 695' ' ' LEU . . . . . 0.605 ' CD1' ' CD1' ' A' ' 696' ' ' TRP . 1.0 OUTLIER -128.44 -12.25 5.02 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.206 -0.934 . . . . 0.0 110.557 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 696' ' ' TRP . . . . . 0.605 ' CD1' ' CD1' ' A' ' 695' ' ' LEU . 2.8 m95 -105.29 97.03 6.93 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.171 -0.956 . . . . 0.0 110.37 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 697' ' ' GLN . . . . . 0.48 ' O ' ' HG2' ' A' ' 676' ' ' LYS . 0.4 OUTLIER -105.1 118.79 37.43 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.228 -0.92 . . . . 0.0 109.883 179.647 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . 0.596 ' HB3' ' CE2' ' A' ' 675' ' ' TYR . 2.4 pp -102.29 -173.96 2.46 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.964 -1.085 . . . . 0.0 110.76 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 699' ' ' GLN . . . . . 0.571 ' N ' ' CD1' ' A' ' 698' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 O-C-N 121.522 -0.736 . . . . 0.0 110.227 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 656' ' ' TRP . . . . . 0.441 ' HA ' ' HB ' ' A' ' 668' ' ' VAL . 76.2 t90 . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.265 0.555 . . . . 0.0 110.168 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 24.3 mm100 -104.04 114.0 27.94 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.315 -0.866 . . . . 0.0 110.094 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 658' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.55 155.83 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.192 -0.943 . . . . 0.0 110.119 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 3.1 m120 50.96 59.29 4.73 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.314 -0.866 . . . . 0.0 110.136 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 660' ' ' THR . . . . . 0.475 HG22 ' N ' ' A' ' 661' ' ' ALA . 24.8 m -140.92 161.08 38.67 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.274 -0.891 . . . . 0.0 110.53 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . 0.475 ' N ' HG22 ' A' ' 660' ' ' THR . . . -104.33 126.57 51.54 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.25 -0.906 . . . . 0.0 109.906 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -120.89 148.58 43.86 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.192 -0.943 . . . . 0.0 110.453 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 56.1 p -100.78 162.04 13.19 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.35 -0.844 . . . . 0.0 109.996 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 664' ' ' ALA . . . . . 0.49 ' HA ' ' N ' ' A' ' 679' ' ' GLN . . . -58.63 108.06 0.59 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.216 -0.927 . . . . 0.0 110.302 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 665' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 114.89 25.82 3.78 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 666' ' ' GLN . . . . . 0.541 ' CB ' ' HB2' ' A' ' 677' ' ' CYS . 1.4 mm-40 -90.5 -179.26 5.53 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.133 -1.216 . . . . 0.0 110.043 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.91 127.1 22.65 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.276 -0.89 . . . . 0.0 110.67 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 668' ' ' VAL . . . . . 0.474 ' CG2' ' HB2' ' A' ' 675' ' ' TYR . 2.5 m -137.01 156.91 35.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.234 -0.916 . . . . 0.0 109.976 179.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 669' ' ' THR . . . . . 0.403 HG21 ' C ' ' A' ' 668' ' ' VAL . 53.3 p . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.123 -0.986 . . . . 0.0 110.318 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 674' ' ' THR . . . . . 0.447 ' HB ' ' HG3' ' A' ' 699' ' ' GLN . 87.7 m . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.162 0.506 . . . . 0.0 110.022 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 675' ' ' TYR . . . . . 0.623 ' CE1' ' CB ' ' A' ' 690' ' ' SER . 49.1 m-85 -132.96 158.62 42.21 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.334 -0.854 . . . . 0.0 110.815 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . 0.475 ' HB2' ' O ' ' A' ' 697' ' ' GLN . 0.4 OUTLIER -134.62 99.51 4.36 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.419 -0.8 . . . . 0.0 109.96 179.73 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . 0.541 ' HB2' ' CB ' ' A' ' 666' ' ' GLN . 0.5 OUTLIER -50.98 134.75 25.73 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.286 -0.884 . . . . 0.0 109.88 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.425 ' O ' ' HB3' ' A' ' 664' ' ' ALA . 0.1 OUTLIER -122.05 1.08 9.76 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.087 -1.008 . . . . 0.0 110.953 -179.402 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 679' ' ' GLN . . . . . 0.49 ' N ' ' HA ' ' A' ' 664' ' ' ALA . 5.5 mt-30 -150.82 148.0 22.21 Favored Pre-proline 0 N--CA 1.493 1.712 0 O-C-N 120.921 -1.112 . . . . 0.0 110.754 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 680' ' ' PRO . . . . . 0.466 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.0 Cg_exo -61.61 99.54 0.18 Allowed 'Trans proline' 0 C--N 1.315 -1.231 0 O-C-N 123.684 1.36 . . . . 0.0 110.462 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 681' ' ' HIS . . . . . 0.454 ' CD2' HD23 ' A' ' 695' ' ' LEU . 34.4 m-70 -147.04 165.35 30.16 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.244 -0.91 . . . . 0.0 110.328 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 682' ' ' THR . . . . . 0.447 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 42.9 m -104.6 135.97 45.01 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.306 -0.871 . . . . 0.0 110.494 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 12.0 p -89.94 145.86 24.81 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.271 -0.893 . . . . 0.0 109.849 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . 0.524 ' CD2' ' N ' ' A' ' 684' ' ' LEU . 1.2 pt? -158.39 179.56 9.03 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.239 -0.913 . . . . 0.0 110.382 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -60.42 78.66 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.41 -0.806 . . . . 0.0 109.99 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 686' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 171.65 -42.97 0.18 Allowed Glycine 0 N--CA 1.489 2.183 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 687' ' ' TRP . . . . . 0.447 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 46.2 m0 -89.46 37.72 0.88 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.24 -1.153 . . . . 0.0 109.951 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 688' ' ' GLU . . . . . 0.605 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.3 mt-10 -88.24 -47.84 0.45 Allowed Pre-proline 0 N--CA 1.496 1.866 0 O-C-N 121.287 -0.883 . . . . 0.0 110.511 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 689' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.7 Cg_endo -69.26 -4.23 13.27 Favored 'Trans proline' 0 C--N 1.315 -1.203 0 O-C-N 123.244 1.129 . . . . 0.0 110.191 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 690' ' ' SER . . . . . 0.623 ' CB ' ' CE1' ' A' ' 675' ' ' TYR . 1.7 p 62.89 57.7 1.65 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.397 -0.814 . . . . 0.0 109.717 -179.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 691' ' ' ASN . . . . . 0.4 ' OD1' ' HB2' ' A' ' 689' ' ' PRO . 9.3 m-20 -79.18 -4.41 50.37 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.319 -0.863 . . . . 0.0 110.668 -179.465 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 692' ' ' VAL . . . . . 0.495 ' O ' HG23 ' A' ' 692' ' ' VAL . 17.8 m -120.78 88.0 43.27 Favored Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.052 -1.03 . . . . 0.0 110.469 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.5 -25.21 79.33 Favored 'Trans proline' 0 C--N 1.31 -1.459 0 O-C-N 123.521 1.274 . . . . 0.0 110.399 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -46.33 -30.63 2.16 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.294 -0.879 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 695' ' ' LEU . . . . . 0.584 HD13 ' CG ' ' A' ' 696' ' ' TRP . 4.2 pp -130.34 -4.09 4.34 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.206 -0.934 . . . . 0.0 110.541 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 696' ' ' TRP . . . . . 0.584 ' CG ' HD13 ' A' ' 695' ' ' LEU . 1.2 m95 -108.64 99.84 9.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.108 -0.995 . . . . 0.0 110.687 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 697' ' ' GLN . . . . . 0.475 ' O ' ' HB2' ' A' ' 676' ' ' LYS . 6.0 tt0 -99.62 93.18 5.71 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.241 -0.912 . . . . 0.0 109.132 179.116 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . 0.585 ' HB3' ' CE1' ' A' ' 675' ' ' TYR . 0.5 OUTLIER -96.0 -176.24 3.64 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.282 -0.886 . . . . 0.0 111.03 -178.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 699' ' ' GLN . . . . . 0.449 ' N ' ' CD1' ' A' ' 698' ' ' LEU . 4.9 pt20 . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.522 -0.736 . . . . 0.0 110.265 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 656' ' ' TRP . . . . . 0.465 ' HB2' ' HB ' ' A' ' 668' ' ' VAL . 36.8 t90 . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.308 0.575 . . . . 0.0 110.146 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -136.72 144.55 43.92 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.195 -0.941 . . . . 0.0 110.111 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 658' ' ' VAL . . . . . 0.497 HG23 ' N ' ' A' ' 659' ' ' ASN . 7.4 p -80.03 155.85 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.143 -0.973 . . . . 0.0 110.259 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 659' ' ' ASN . . . . . 0.497 ' N ' HG23 ' A' ' 658' ' ' VAL . 1.8 t-20 57.49 54.17 6.76 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.278 -0.889 . . . . 0.0 110.196 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 660' ' ' THR . . . . . 0.482 HG21 ' N ' ' A' ' 661' ' ' ALA . 58.7 m -140.22 167.54 21.91 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.101 -1.0 . . . . 0.0 110.886 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . 0.482 ' N ' HG21 ' A' ' 660' ' ' THR . . . -113.98 124.74 52.89 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.436 -0.79 . . . . 0.0 109.777 179.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 662' ' ' TYR . . . . . 0.435 ' O ' ' HA ' ' A' ' 680' ' ' PRO . 7.8 m-85 -113.42 151.98 30.66 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.141 -0.974 . . . . 0.0 110.631 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 6.1 p -100.19 154.27 18.58 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.301 -0.874 . . . . 0.0 109.72 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 664' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 678' ' ' LEU . . . -48.8 135.44 15.19 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.272 -0.893 . . . . 0.0 110.287 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 665' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 77.47 36.0 35.33 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 666' ' ' GLN . . . . . 0.506 ' HB2' ' CB ' ' A' ' 677' ' ' CYS . 0.0 OUTLIER -89.83 169.56 11.15 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.179 -1.189 . . . . 0.0 110.14 179.864 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 667' ' ' LEU . . . . . 0.499 ' CD2' ' HD2' ' A' ' 676' ' ' LYS . 3.3 tm? -129.17 117.26 20.48 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.192 -0.942 . . . . 0.0 110.519 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 668' ' ' VAL . . . . . 0.465 ' HB ' ' HB2' ' A' ' 656' ' ' TRP . 2.0 m -133.66 155.18 39.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.202 -0.936 . . . . 0.0 109.93 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 669' ' ' THR . . . . . 0.434 HG21 ' C ' ' A' ' 668' ' ' VAL . 40.1 p . . . . . 0 N--CA 1.492 1.662 0 O-C-N 121.095 -1.003 . . . . 0.0 110.418 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 674' ' ' THR . . . . . . . . . . . . . 80.0 m . . . . . 0 N--CA 1.493 1.682 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 675' ' ' TYR . . . . . 0.614 ' CE1' ' CB ' ' A' ' 698' ' ' LEU . 93.1 m-85 -130.32 167.55 18.33 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.177 -0.952 . . . . 0.0 111.13 -179.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . 0.499 ' HD2' ' CD2' ' A' ' 667' ' ' LEU . 0.0 OUTLIER -139.52 102.47 4.47 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.653 -0.654 . . . . 0.0 109.986 -179.697 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 665' ' ' GLY . 0.1 OUTLIER -52.6 142.41 18.21 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.14 -0.975 . . . . 0.0 110.246 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.458 ' O ' ' HB3' ' A' ' 664' ' ' ALA . 0.3 OUTLIER -110.76 -29.0 8.17 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.387 -0.821 . . . . 0.0 110.148 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 679' ' ' GLN . . . . . 0.518 ' HB3' ' NE2' ' A' ' 681' ' ' HIS . 20.3 mt-30 -133.0 148.62 70.14 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.222 -0.924 . . . . 0.0 110.019 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 680' ' ' PRO . . . . . 0.435 ' HA ' ' O ' ' A' ' 662' ' ' TYR . 3.0 Cg_exo -59.77 102.31 0.17 Allowed 'Trans proline' 0 C--N 1.311 -1.413 0 O-C-N 123.59 1.31 . . . . 0.0 110.336 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 681' ' ' HIS . . . . . 0.518 ' NE2' ' HB3' ' A' ' 679' ' ' GLN . 22.0 m-70 -136.95 -167.04 2.01 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.16 -0.962 . . . . 0.0 110.485 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 682' ' ' THR . . . . . 0.401 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 96.8 m -126.37 128.4 47.0 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.318 -0.864 . . . . 0.0 110.412 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.9 140.81 33.87 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.34 -0.85 . . . . 0.0 109.864 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 686' ' ' GLY . 1.2 pt? -148.97 177.84 9.21 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.205 -0.934 . . . . 0.0 110.686 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -62.45 73.99 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.436 -0.79 . . . . 0.0 110.162 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 686' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 177.67 -39.59 0.09 OUTLIER Glycine 0 N--CA 1.489 2.173 0 N-CA-C 109.169 -1.572 . . . . 0.0 109.169 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 687' ' ' TRP . . . . . 0.401 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 48.0 m0 -89.6 38.82 0.92 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.344 -1.092 . . . . 0.0 109.796 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 688' ' ' GLU . . . . . 0.59 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.6 mt-10 -89.56 -48.98 0.39 Allowed Pre-proline 0 N--CA 1.494 1.762 0 O-C-N 121.237 -0.915 . . . . 0.0 110.516 -179.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 689' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.7 Cg_endo -69.71 -5.74 16.9 Favored 'Trans proline' 0 C--N 1.312 -1.348 0 O-C-N 123.299 1.157 . . . . 0.0 109.99 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 690' ' ' SER . . . . . 0.563 ' CB ' ' CE1' ' A' ' 675' ' ' TYR . 1.7 p 61.11 49.5 5.58 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.319 -0.863 . . . . 0.0 109.818 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 691' ' ' ASN . . . . . 0.449 ' OD1' HG12 ' A' ' 692' ' ' VAL . 13.5 p30 -83.48 15.56 3.01 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.361 -0.837 . . . . 0.0 110.439 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 692' ' ' VAL . . . . . 0.527 ' CG2' ' O ' ' A' ' 692' ' ' VAL . 19.7 m -137.28 81.58 31.12 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.287 -0.883 . . . . 0.0 110.06 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 693' ' ' PRO . . . . . 0.423 ' HA ' ' O ' ' A' ' 696' ' ' TRP . 3.1 Cg_exo -59.54 -18.99 49.99 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.674 1.355 . . . . 0.0 110.498 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 694' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 693' ' ' PRO . . . -44.53 -35.07 2.34 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.283 -0.886 . . . . 0.0 109.843 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 695' ' ' LEU . . . . . 0.652 ' CD1' ' CD1' ' A' ' 696' ' ' TRP . 3.1 pp -134.52 -3.24 2.67 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.374 -0.829 . . . . 0.0 110.552 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 696' ' ' TRP . . . . . 0.652 ' CD1' ' CD1' ' A' ' 695' ' ' LEU . 1.7 m95 -116.42 105.71 12.81 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.035 -1.041 . . . . 0.0 110.345 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -103.18 105.95 16.36 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.205 -0.934 . . . . 0.0 109.648 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . 0.614 ' CB ' ' CE1' ' A' ' 675' ' ' TYR . 0.4 OUTLIER -94.05 175.95 6.51 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.08 -1.012 . . . . 0.0 111.049 -179.203 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 699' ' ' GLN . . . . . 0.533 ' N ' ' CD1' ' A' ' 698' ' ' LEU . 15.1 pt20 . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.468 -0.77 . . . . 0.0 110.216 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 656' ' ' TRP . . . . . 0.449 ' CH2' ' HB ' ' A' ' 658' ' ' VAL . 88.2 t90 . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.345 0.593 . . . . 0.0 110.251 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 657' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 656' ' ' TRP . 29.3 mt-30 -149.92 115.62 5.57 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.269 -0.894 . . . . 0.0 109.851 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 658' ' ' VAL . . . . . 0.449 ' HB ' ' CH2' ' A' ' 656' ' ' TRP . 12.1 p -48.04 155.79 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.315 -0.865 . . . . 0.0 110.561 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 51.41 59.61 4.46 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.49 -0.756 . . . . 0.0 110.453 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 660' ' ' THR . . . . . 0.639 ' CG2' ' CE1' ' A' ' 662' ' ' TYR . 84.3 m -140.35 138.37 34.81 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.159 -0.963 . . . . 0.0 110.227 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -87.36 128.07 35.2 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.243 -0.911 . . . . 0.0 110.095 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 662' ' ' TYR . . . . . 0.639 ' CE1' ' CG2' ' A' ' 660' ' ' THR . 20.5 m-85 -119.64 150.82 39.7 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.221 -0.924 . . . . 0.0 110.454 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 21.7 p -103.61 149.03 25.3 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.354 -0.841 . . . . 0.0 109.788 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 664' ' ' ALA . . . . . 0.525 ' CB ' ' HD3' ' A' ' 680' ' ' PRO . . . -49.84 127.45 16.22 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.133 -0.979 . . . . 0.0 110.284 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 665' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 99.37 18.14 24.69 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.72 -1.352 . . . . 0.0 109.72 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.34 -179.03 5.76 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.251 -1.146 . . . . 0.0 110.026 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 667' ' ' LEU . . . . . 0.457 ' C ' ' CD2' ' A' ' 667' ' ' LEU . 4.4 tt -151.1 116.32 5.33 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.188 -0.945 . . . . 0.0 110.242 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 668' ' ' VAL . . . . . 0.413 ' N ' HD22 ' A' ' 667' ' ' LEU . 4.4 m -116.68 163.97 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.245 -0.909 . . . . 0.0 110.1 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 669' ' ' THR . . . . . 0.408 HG22 ' O ' ' A' ' 668' ' ' VAL . 62.6 p . . . . . 0 N--CA 1.491 1.614 0 O-C-N 121.173 -0.954 . . . . 0.0 110.318 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 674' ' ' THR . . . . . 0.47 ' O ' ' HA ' ' A' ' 698' ' ' LEU . 7.2 m . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 121.086 0.47 . . . . 0.0 110.028 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 675' ' ' TYR . . . . . 0.587 ' CE1' ' HB3' ' A' ' 698' ' ' LEU . 67.5 m-85 -136.99 158.55 44.2 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.373 -0.829 . . . . 0.0 110.54 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 667' ' ' LEU . 0.1 OUTLIER -133.86 105.27 6.68 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.511 -0.743 . . . . 0.0 110.099 -179.853 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 665' ' ' GLY . 0.1 OUTLIER -60.38 132.97 55.57 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.218 -0.926 . . . . 0.0 110.192 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.69 3.1 14.65 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.21 -0.931 . . . . 0.0 110.371 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 679' ' ' GLN . . . . . 0.521 ' HB3' ' CD2' ' A' ' 681' ' ' HIS . 9.4 mt-30 -148.35 138.82 13.12 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.128 -0.983 . . . . 0.0 110.434 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 680' ' ' PRO . . . . . 0.525 ' HD3' ' CB ' ' A' ' 664' ' ' ALA . 2.9 Cg_endo -62.32 99.36 0.2 Allowed 'Trans proline' 0 C--N 1.314 -1.26 0 O-C-N 123.498 1.262 . . . . 0.0 110.445 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 681' ' ' HIS . . . . . 0.521 ' CD2' ' HB3' ' A' ' 679' ' ' GLN . 29.8 m-70 -142.73 -179.66 6.46 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.162 -0.961 . . . . 0.0 110.212 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 78.4 m -115.24 129.39 56.62 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.246 -0.909 . . . . 0.0 110.307 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.25 146.86 28.33 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.223 -0.923 . . . . 0.0 110.199 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . 0.542 ' CD2' ' N ' ' A' ' 684' ' ' LEU . 1.2 pt? -154.81 -178.59 7.32 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.412 -0.805 . . . . 0.0 110.16 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -58.26 81.43 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.355 -0.84 . . . . 0.0 110.091 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 686' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 164.96 -45.31 0.29 Allowed Glycine 0 N--CA 1.488 2.131 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 45.9 m0 -86.57 30.48 0.72 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.084 -1.245 . . . . 0.0 110.312 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 688' ' ' GLU . . . . . 0.618 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.1 mt-10 -85.86 -47.68 0.57 Allowed Pre-proline 0 N--CA 1.496 1.83 0 O-C-N 121.137 -0.977 . . . . 0.0 110.254 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 689' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.6 Cg_endo -69.53 -3.97 12.93 Favored 'Trans proline' 0 C--N 1.315 -1.2 0 O-C-N 123.272 1.143 . . . . 0.0 110.386 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 690' ' ' SER . . . . . 0.509 ' CB ' ' CE1' ' A' ' 675' ' ' TYR . 1.2 p 71.06 59.41 0.18 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.29 -0.881 . . . . 0.0 109.757 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -80.18 1.11 29.54 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.218 -0.926 . . . . 0.0 111.179 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 692' ' ' VAL . . . . . 0.475 ' O ' ' HB2' ' A' ' 696' ' ' TRP . 9.1 m -132.61 87.77 40.63 Favored Pre-proline 0 N--CA 1.494 1.729 0 O-C-N 121.011 -1.056 . . . . 0.0 110.231 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -59.5 -34.75 97.02 Favored 'Trans proline' 0 C--N 1.31 -1.45 0 O-C-N 123.79 1.416 . . . . 0.0 110.516 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -44.87 -26.8 0.45 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.19 -0.944 . . . . 0.0 109.893 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 695' ' ' LEU . . . . . 0.552 HD12 ' CG ' ' A' ' 696' ' ' TRP . 4.6 pp -129.59 -1.3 4.9 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.365 -0.835 . . . . 0.0 110.125 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 696' ' ' TRP . . . . . 0.552 ' CG ' HD12 ' A' ' 695' ' ' LEU . 0.9 OUTLIER -119.45 98.24 6.04 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.222 -0.924 . . . . 0.0 110.045 179.552 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 697' ' ' GLN . . . . . 0.413 ' O ' ' HB2' ' A' ' 676' ' ' LYS . 24.2 tp60 -99.33 98.38 9.33 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.059 -1.026 . . . . 0.0 109.394 179.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . 0.587 ' HB3' ' CE1' ' A' ' 675' ' ' TYR . 0.8 OUTLIER -91.33 175.4 6.94 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.228 -0.92 . . . . 0.0 111.281 -179.01 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 699' ' ' GLN . . . . . 0.565 ' N ' ' CD1' ' A' ' 698' ' ' LEU . 2.4 pt20 . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.641 -0.662 . . . . 0.0 110.208 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 656' ' ' TRP . . . . . 0.411 ' HA ' ' HB ' ' A' ' 668' ' ' VAL . 77.6 t90 . . . . . 0 N--CA 1.492 1.625 0 CA-C-O 121.215 0.531 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -123.54 135.43 54.01 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.262 -0.899 . . . . 0.0 110.18 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 658' ' ' VAL . . . . . . . . . . . . . 14.5 p -76.4 158.54 5.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.265 -0.897 . . . . 0.0 110.213 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 27.1 t30 53.84 57.59 5.89 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.285 -0.884 . . . . 0.0 110.136 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 660' ' ' THR . . . . . 0.472 HG23 ' N ' ' A' ' 661' ' ' ALA . 62.2 m -138.05 169.35 17.95 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.305 -0.872 . . . . 0.0 110.38 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . 0.472 ' N ' HG23 ' A' ' 660' ' ' THR . . . -112.03 115.34 28.75 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.29 -0.881 . . . . 0.0 110.251 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 662' ' ' TYR . . . . . 0.447 ' HB3' ' SG ' ' A' ' 677' ' ' CYS . 20.0 m-85 -109.26 155.14 21.49 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.272 -0.892 . . . . 0.0 110.065 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.64 -167.31 1.45 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.227 -0.92 . . . . 0.0 110.368 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 664' ' ' ALA . . . . . 0.456 ' HA ' ' N ' ' A' ' 679' ' ' GLN . . . -90.32 63.74 5.78 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.244 -0.91 . . . . 0.0 110.518 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 665' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 155.89 36.79 0.02 OUTLIER Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.72 -1.352 . . . . 0.0 109.72 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 666' ' ' GLN . . . . . 0.463 ' HB2' ' CB ' ' A' ' 677' ' ' CYS . 1.0 OUTLIER -90.66 -177.18 4.94 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.175 -1.191 . . . . 0.0 110.361 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 48.6 mt -143.64 91.98 2.3 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.277 -0.889 . . . . 0.0 110.189 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 668' ' ' VAL . . . . . 0.428 ' C ' HG22 ' A' ' 669' ' ' THR . 2.8 m -100.55 168.7 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.297 -0.877 . . . . 0.0 110.224 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 669' ' ' THR . . . . . 0.428 HG22 ' C ' ' A' ' 668' ' ' VAL . 24.0 p . . . . . 0 N--CA 1.489 1.508 0 O-C-N 121.134 -0.979 . . . . 0.0 109.901 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 674' ' ' THR . . . . . 0.484 ' O ' ' HB2' ' A' ' 698' ' ' LEU . 95.5 m . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.242 0.544 . . . . 0.0 110.362 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 675' ' ' TYR . . . . . 0.569 ' CE2' ' HB3' ' A' ' 698' ' ' LEU . 25.9 m-85 -130.28 160.52 33.65 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.275 -0.89 . . . . 0.0 110.529 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' ' 697' ' ' GLN . 0.2 OUTLIER -140.44 131.9 26.93 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.334 -0.854 . . . . 0.0 109.76 179.352 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . 0.52 ' O ' ' N ' ' A' ' 665' ' ' GLY . 0.5 OUTLIER -75.76 136.75 40.29 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.22 -0.925 . . . . 0.0 110.141 -179.754 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.474 ' CD2' ' HG3' ' A' ' 676' ' ' LYS . 0.8 OUTLIER -117.33 -5.24 11.3 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.284 -0.885 . . . . 0.0 110.136 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 679' ' ' GLN . . . . . 0.509 ' HB3' ' CD2' ' A' ' 681' ' ' HIS . 4.0 tt0 -142.94 143.42 25.16 Favored Pre-proline 0 N--CA 1.492 1.671 0 O-C-N 121.239 -0.913 . . . . 0.0 110.162 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 680' ' ' PRO . . . . . 0.519 ' O ' ' ND1' ' A' ' 681' ' ' HIS . 2.9 Cg_endo -61.79 101.36 0.22 Allowed 'Trans proline' 0 C--N 1.313 -1.29 0 O-C-N 123.5 1.263 . . . . 0.0 110.589 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 681' ' ' HIS . . . . . 0.519 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 11.3 m-70 -144.86 -169.3 3.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.189 -0.944 . . . . 0.0 110.26 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 33.9 m -131.07 127.05 37.42 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.319 -0.863 . . . . 0.0 110.207 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 28.9 m -71.74 146.72 47.95 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.248 -0.908 . . . . 0.0 110.235 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 686' ' ' GLY . 1.1 pt? -150.24 173.96 13.36 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.166 -0.959 . . . . 0.0 110.38 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -63.69 72.16 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.231 -0.918 . . . . 0.0 110.308 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 686' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 177.36 -31.99 0.08 OUTLIER Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -88.64 39.34 0.91 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.22 -1.165 . . . . 0.0 110.379 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 688' ' ' GLU . . . . . 0.577 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.7 mt-10 -89.34 -49.0 0.4 Allowed Pre-proline 0 N--CA 1.493 1.713 0 O-C-N 121.161 -0.962 . . . . 0.0 110.523 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 689' ' ' PRO . . . . . 0.577 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.3 Cg_endo -71.32 -2.56 11.41 Favored 'Trans proline' 0 C--N 1.315 -1.231 0 O-C-N 123.16 1.084 . . . . 0.0 110.38 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 690' ' ' SER . . . . . 0.487 ' OG ' ' O ' ' A' ' 690' ' ' SER . 1.4 p 69.9 62.04 0.25 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.446 -0.784 . . . . 0.0 109.808 -179.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -79.41 1.83 23.98 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.21 -0.932 . . . . 0.0 110.735 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 692' ' ' VAL . . . . . 0.525 HG22 ' CD1' ' A' ' 695' ' ' LEU . 29.3 m -135.17 77.23 55.65 Favored Pre-proline 0 N--CA 1.494 1.729 0 O-C-N 121.14 -0.975 . . . . 0.0 110.032 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -59.78 -26.28 81.77 Favored 'Trans proline' 0 C--N 1.311 -1.406 0 O-C-N 123.691 1.364 . . . . 0.0 110.732 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -51.34 -25.28 5.74 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.186 -0.946 . . . . 0.0 110.034 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 695' ' ' LEU . . . . . 0.564 HD12 ' CG ' ' A' ' 696' ' ' TRP . 4.0 pp -128.08 -16.93 4.45 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.298 -0.877 . . . . 0.0 110.643 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 696' ' ' TRP . . . . . 0.564 ' CG ' HD12 ' A' ' 695' ' ' LEU . 0.3 OUTLIER -104.15 94.0 5.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.032 -1.043 . . . . 0.0 110.156 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 697' ' ' GLN . . . . . 0.476 ' O ' ' HG2' ' A' ' 676' ' ' LYS . 2.4 tp60 -99.81 113.23 25.6 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.17 -0.956 . . . . 0.0 109.891 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . 0.569 ' HB3' ' CE2' ' A' ' 675' ' ' TYR . 1.1 pp -104.32 -169.99 1.7 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.157 -0.965 . . . . 0.0 110.698 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 699' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.379 -0.825 . . . . 0.0 110.082 179.718 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 656' ' ' TRP . . . . . 0.491 ' CZ3' HG13 ' A' ' 658' ' ' VAL . 73.6 t90 . . . . . 0 N--CA 1.492 1.659 0 CA-C-O 121.243 0.544 . . . . 0.0 110.23 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -137.67 133.23 34.01 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.22 -0.925 . . . . 0.0 110.233 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 658' ' ' VAL . . . . . 0.491 HG13 ' CZ3' ' A' ' 656' ' ' TRP . 17.5 m -60.64 154.3 4.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.246 -0.909 . . . . 0.0 110.301 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 659' ' ' ASN . . . . . 0.45 ' HB2' ' O ' ' A' ' 658' ' ' VAL . 12.1 m120 56.55 55.67 6.26 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.303 -0.873 . . . . 0.0 110.211 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 660' ' ' THR . . . . . 0.425 ' O ' ' OG ' ' A' ' 683' ' ' SER . 89.5 m -139.78 124.49 18.36 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.197 -0.939 . . . . 0.0 110.397 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -71.82 130.04 40.11 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.313 -0.867 . . . . 0.0 110.27 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 662' ' ' TYR . . . . . 0.496 ' CE2' ' OG ' ' A' ' 683' ' ' SER . 10.8 m-85 -122.23 166.07 15.2 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.194 -0.941 . . . . 0.0 109.881 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.82 -167.47 1.19 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.183 -0.948 . . . . 0.0 110.353 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 664' ' ' ALA . . . . . 0.461 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -86.91 127.92 35.06 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.335 -0.853 . . . . 0.0 110.409 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 81.46 38.46 14.55 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.792 -1.323 . . . . 0.0 109.792 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 666' ' ' GLN . . . . . 0.457 ' O ' ' HA ' ' A' ' 676' ' ' LYS . 0.0 OUTLIER -88.18 174.43 8.23 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.182 -1.187 . . . . 0.0 109.885 179.812 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -133.23 89.17 2.57 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.176 -0.952 . . . . 0.0 110.543 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 668' ' ' VAL . . . . . . . . . . . . . 3.0 m -100.01 167.92 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.178 -0.951 . . . . 0.0 109.696 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.492 1.645 0 O-C-N 121.087 -1.008 . . . . 0.0 110.194 179.761 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 674' ' ' THR . . . . . . . . . . . . . 2.8 m . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 675' ' ' TYR . . . . . 0.574 ' CE2' ' HB3' ' A' ' 698' ' ' LEU . 19.1 m-85 -130.05 157.74 41.53 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.987 -1.071 . . . . 0.0 111.214 -179.129 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . 0.507 ' CD ' ' HB3' ' A' ' 697' ' ' GLN . 0.0 OUTLIER -140.9 126.69 19.16 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.527 -0.733 . . . . 0.0 109.417 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.77 160.51 28.34 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.144 -0.973 . . . . 0.0 110.359 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.457 ' O ' ' HB2' ' A' ' 664' ' ' ALA . 0.9 OUTLIER -124.29 -28.84 3.62 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.24 -0.912 . . . . 0.0 110.692 -179.876 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 679' ' ' GLN . . . . . 0.518 ' HB3' ' NE2' ' A' ' 681' ' ' HIS . 42.8 mm-40 -126.74 146.44 57.12 Favored Pre-proline 0 N--CA 1.493 1.715 0 O-C-N 121.153 -0.967 . . . . 0.0 110.557 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 680' ' ' PRO . . . . . 0.53 ' O ' ' ND1' ' A' ' 681' ' ' HIS . 3.0 Cg_exo -62.94 116.0 3.29 Favored 'Trans proline' 0 C--N 1.314 -1.263 0 O-C-N 123.632 1.333 . . . . 0.0 110.89 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 681' ' ' HIS . . . . . 0.53 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 89.2 m-70 -155.42 -156.58 0.66 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.232 -0.917 . . . . 0.0 110.258 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 682' ' ' THR . . . . . 0.571 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 20.6 m -131.4 127.84 38.34 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.22 -0.925 . . . . 0.0 110.299 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 683' ' ' SER . . . . . 0.496 ' OG ' ' CE2' ' A' ' 662' ' ' TYR . 0.0 OUTLIER -85.24 138.93 32.02 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.32 -0.863 . . . . 0.0 109.762 179.63 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . 0.462 HD23 ' O ' ' A' ' 684' ' ' LEU . 0.7 OUTLIER -141.77 -178.25 5.58 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.321 -0.862 . . . . 0.0 110.693 -179.716 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -64.4 74.91 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.362 -0.836 . . . . 0.0 110.229 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 686' ' ' GLY . . . . . 0.46 ' O ' ' HD2' ' A' ' 689' ' ' PRO . . . 174.72 -32.46 0.1 OUTLIER Glycine 0 N--CA 1.487 2.099 0 N-CA-C 109.44 -1.464 . . . . 0.0 109.44 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 687' ' ' TRP . . . . . 0.571 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 40.7 m0 -85.68 30.89 0.62 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.241 -1.152 . . . . 0.0 110.399 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 688' ' ' GLU . . . . . 0.603 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 2.6 mt-10 -87.38 -47.01 0.49 Allowed Pre-proline 0 N--CA 1.494 1.74 0 O-C-N 120.965 -1.085 . . . . 0.0 110.642 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 689' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.6 Cg_endo -70.65 -0.82 8.24 Favored 'Trans proline' 0 C--N 1.315 -1.215 0 O-C-N 123.173 1.091 . . . . 0.0 110.515 179.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 690' ' ' SER . . . . . 0.471 ' OG ' ' O ' ' A' ' 690' ' ' SER . 2.3 p 61.68 56.62 2.43 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.229 -0.919 . . . . 0.0 109.74 -179.412 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 691' ' ' ASN . . . . . 0.426 ' O ' HG13 ' A' ' 692' ' ' VAL . 6.7 m-20 -79.72 4.05 17.45 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.22 -0.925 . . . . 0.0 110.501 -179.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 692' ' ' VAL . . . . . 0.523 HG23 ' CD1' ' A' ' 695' ' ' LEU . 18.2 m -138.06 82.53 24.7 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.066 -1.021 . . . . 0.0 110.47 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -60.89 -17.39 50.69 Favored 'Trans proline' 0 C--N 1.312 -1.375 0 O-C-N 123.628 1.331 . . . . 0.0 110.386 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -52.81 -35.95 57.76 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.265 -0.897 . . . . 0.0 109.931 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 695' ' ' LEU . . . . . 0.535 ' CD1' ' CD1' ' A' ' 696' ' ' TRP . 1.3 pp -127.44 -4.49 6.03 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.307 -0.871 . . . . 0.0 110.057 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 696' ' ' TRP . . . . . 0.535 ' CD1' ' CD1' ' A' ' 695' ' ' LEU . 1.1 m95 -116.44 89.63 3.15 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.19 -0.944 . . . . 0.0 110.358 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 697' ' ' GLN . . . . . 0.507 ' HB3' ' CD ' ' A' ' 676' ' ' LYS . 0.9 OUTLIER -99.17 113.21 25.34 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.153 -0.967 . . . . 0.0 109.422 179.61 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . 0.574 ' HB3' ' CE2' ' A' ' 675' ' ' TYR . 0.6 OUTLIER -91.5 177.54 6.2 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.24 -0.912 . . . . 0.0 110.852 -179.258 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 699' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 698' ' ' LEU . 30.5 mt-30 . . . . . 0 N--CA 1.492 1.625 0 O-C-N 121.551 -0.718 . . . . 0.0 110.214 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 656' ' ' TRP . . . . . 0.493 ' CZ2' ' HA ' ' A' ' 658' ' ' VAL . 56.6 t90 . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.201 0.525 . . . . 0.0 110.051 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -127.3 139.52 52.83 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.267 -0.896 . . . . 0.0 110.109 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 658' ' ' VAL . . . . . 0.493 ' HA ' ' CZ2' ' A' ' 656' ' ' TRP . 13.9 p -77.92 158.76 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.143 -0.973 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 50.68 56.07 8.54 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.27 -0.894 . . . . 0.0 109.998 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 50.7 m -135.72 164.24 28.33 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.219 -0.925 . . . . 0.0 110.425 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -106.12 115.52 30.37 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.302 -0.874 . . . . 0.0 110.086 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -111.68 154.18 25.33 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.175 -0.953 . . . . 0.0 110.368 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 1.3 p -102.13 178.69 4.53 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.283 -0.886 . . . . 0.0 109.996 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 664' ' ' ALA . . . . . 0.536 ' CB ' ' HD3' ' A' ' 680' ' ' PRO . . . -77.07 125.65 29.67 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.16 -0.962 . . . . 0.0 110.166 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 665' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 93.53 30.01 9.53 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 666' ' ' GLN . . . . . 0.522 ' CB ' ' HB2' ' A' ' 677' ' ' CYS . 0.9 OUTLIER -90.2 174.54 7.56 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.321 -1.106 . . . . 0.0 110.143 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 2.5 tt -132.74 102.96 5.87 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.267 -0.896 . . . . 0.0 110.286 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 668' ' ' VAL . . . . . 0.495 HG23 ' CH2' ' A' ' 696' ' ' TRP . 2.9 m -111.31 171.71 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.252 -0.905 . . . . 0.0 109.973 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.493 1.675 0 O-C-N 121.135 -0.978 . . . . 0.0 109.877 179.668 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 674' ' ' THR . . . . . 0.414 ' O ' HD12 ' A' ' 698' ' ' LEU . 52.2 m . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.343 0.592 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 675' ' ' TYR . . . . . 0.574 ' CE1' ' CB ' ' A' ' 690' ' ' SER . 28.6 m-85 -124.22 167.15 14.68 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.288 -0.882 . . . . 0.0 110.224 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 697' ' ' GLN . 1.7 mptt -140.08 124.73 18.18 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.26 -0.9 . . . . 0.0 110.064 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . 0.522 ' HB2' ' CB ' ' A' ' 666' ' ' GLN . 0.1 OUTLIER -67.18 142.46 57.0 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.255 -0.903 . . . . 0.0 110.341 -179.765 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.432 ' O ' ' HB2' ' A' ' 664' ' ' ALA . 2.1 tt -116.21 -23.45 8.41 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.264 -0.897 . . . . 0.0 110.268 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -132.16 142.09 43.79 Favored Pre-proline 0 N--CA 1.492 1.636 0 O-C-N 121.189 -0.944 . . . . 0.0 110.423 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 680' ' ' PRO . . . . . 0.536 ' HD3' ' CB ' ' A' ' 664' ' ' ALA . 2.8 Cg_endo -64.36 104.15 0.5 Allowed 'Trans proline' 0 C--N 1.313 -1.308 0 O-C-N 123.57 1.3 . . . . 0.0 110.463 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 681' ' ' HIS . . . . . 0.512 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 19.1 m-70 -149.38 -163.17 1.72 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.31 -0.869 . . . . 0.0 110.301 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 98.5 m -119.02 135.22 54.74 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.22 -0.925 . . . . 0.0 110.586 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 5.9 p -87.51 139.03 30.96 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.243 -0.911 . . . . 0.0 109.582 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . 0.516 ' CD2' ' N ' ' A' ' 684' ' ' LEU . 1.8 pt? -147.74 172.06 14.69 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.19 -0.944 . . . . 0.0 111.001 -179.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -60.51 77.38 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.504 -0.747 . . . . 0.0 109.973 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 686' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 175.55 -43.44 0.12 Allowed Glycine 0 N--CA 1.487 2.074 0 N-CA-C 108.424 -1.87 . . . . 0.0 108.424 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 44.7 m0 -87.97 32.58 0.74 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.35 -1.088 . . . . 0.0 109.918 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 688' ' ' GLU . . . . . 0.616 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.6 mt-10 -88.56 -46.38 0.45 Allowed Pre-proline 0 N--CA 1.495 1.803 0 O-C-N 121.38 -0.825 . . . . 0.0 111.041 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 689' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.9 Cg_endo -68.1 -6.31 16.88 Favored 'Trans proline' 0 C--N 1.315 -1.204 0 O-C-N 123.239 1.126 . . . . 0.0 110.242 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 690' ' ' SER . . . . . 0.574 ' CB ' ' CE1' ' A' ' 675' ' ' TYR . 1.2 p 67.03 41.39 2.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.392 -0.818 . . . . 0.0 110.044 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 691' ' ' ASN . . . . . 0.458 ' OD1' HG13 ' A' ' 692' ' ' VAL . 19.0 p30 -79.7 4.95 14.64 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.224 -0.923 . . . . 0.0 110.166 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 692' ' ' VAL . . . . . 0.483 ' O ' HG21 ' A' ' 692' ' ' VAL . 16.8 m -125.18 78.88 66.6 Favored Pre-proline 0 N--CA 1.491 1.625 0 O-C-N 121.229 -0.92 . . . . 0.0 110.275 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -60.41 -16.4 41.43 Favored 'Trans proline' 0 C--N 1.311 -1.429 0 O-C-N 123.616 1.324 . . . . 0.0 110.554 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -56.46 -35.56 68.05 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.207 -0.933 . . . . 0.0 110.279 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 695' ' ' LEU . . . . . 0.561 ' CD2' ' O ' ' A' ' 695' ' ' LEU . 0.0 OUTLIER -122.38 -10.9 8.41 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.291 -0.881 . . . . 0.0 110.318 -179.727 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 696' ' ' TRP . . . . . 0.549 ' HA ' ' CE3' ' A' ' 696' ' ' TRP . 0.2 OUTLIER -99.48 145.9 26.95 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.136 -0.977 . . . . 0.0 110.44 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 697' ' ' GLN . . . . . 0.466 ' O ' ' HB2' ' A' ' 676' ' ' LYS . 8.8 tt0 -134.48 82.2 1.95 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.414 -0.804 . . . . 0.0 109.718 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . 0.536 ' HB2' ' CE1' ' A' ' 675' ' ' TYR . 35.2 tp -58.24 152.67 16.74 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.29 -0.881 . . . . 0.0 110.483 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 699' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 698' ' ' LEU . 11.6 mm100 . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.339 -0.851 . . . . 0.0 110.192 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 656' ' ' TRP . . . . . 0.482 ' NE1' ' OG ' ' A' ' 683' ' ' SER . 51.9 t90 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.25 0.548 . . . . 0.0 110.237 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 657' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 658' ' ' VAL . 45.5 mt-30 -146.88 101.28 3.42 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.29 -0.881 . . . . 0.0 110.205 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 658' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 657' ' ' GLN . 2.7 p -43.17 148.27 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.109 -0.995 . . . . 0.0 110.18 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 2.9 t30 61.65 59.73 1.76 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.215 -0.928 . . . . 0.0 109.876 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 3.2 m -139.01 159.54 41.9 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.115 -0.991 . . . . 0.0 110.447 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -101.22 103.4 14.42 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.349 -0.844 . . . . 0.0 109.91 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -99.79 140.99 33.19 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.224 -0.922 . . . . 0.0 110.282 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 663' ' ' THR . . . . . 0.441 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 31.4 p -102.11 158.65 16.01 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.289 -0.882 . . . . 0.0 109.931 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 664' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 678' ' ' LEU . . . -49.64 140.3 11.31 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.212 -0.93 . . . . 0.0 110.384 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 665' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 73.4 30.59 62.24 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.774 -1.331 . . . . 0.0 109.774 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 666' ' ' GLN . . . . . 0.525 ' HB2' ' CB ' ' A' ' 677' ' ' CYS . 0.4 OUTLIER -84.45 -175.41 5.77 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.214 -1.168 . . . . 0.0 110.112 179.768 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 7.3 mt -147.87 109.05 4.28 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.119 -0.988 . . . . 0.0 110.497 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 668' ' ' VAL . . . . . . . . . . . . . 3.0 m -120.69 163.27 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.273 -0.892 . . . . 0.0 109.856 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 30.9 p . . . . . 0 N--CA 1.493 1.697 0 O-C-N 120.981 -1.074 . . . . 0.0 110.123 179.676 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 674' ' ' THR . . . . . 0.428 ' HB ' ' CG ' ' A' ' 699' ' ' GLN . 1.1 m . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 121.235 0.54 . . . . 0.0 109.827 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 675' ' ' TYR . . . . . 0.63 ' CE1' ' CB ' ' A' ' 690' ' ' SER . 22.8 m-85 -130.86 151.15 51.59 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.208 -0.933 . . . . 0.0 110.776 -179.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' A' ' 697' ' ' GLN . 0.0 OUTLIER -132.41 134.3 44.96 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.467 -0.771 . . . . 0.0 109.515 179.495 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . 0.525 ' CB ' ' HB2' ' A' ' 666' ' ' GLN . 0.1 OUTLIER -85.39 148.34 26.06 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.25 -0.907 . . . . 0.0 110.271 -179.627 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.448 ' O ' ' HB3' ' A' ' 664' ' ' ALA . 0.2 OUTLIER -118.31 -18.92 9.13 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.278 -0.888 . . . . 0.0 110.189 179.855 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -131.6 145.83 59.28 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.209 -0.932 . . . . 0.0 110.247 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 680' ' ' PRO . . . . . 0.441 ' HA ' ' HA ' ' A' ' 663' ' ' THR . 2.9 Cg_endo -61.58 94.68 0.12 Allowed 'Trans proline' 0 C--N 1.311 -1.423 0 O-C-N 123.641 1.338 . . . . 0.0 110.412 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 681' ' ' HIS . . . . . . . . . . . . . 18.2 m80 -136.3 164.29 28.43 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.241 -0.912 . . . . 0.0 110.179 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 682' ' ' THR . . . . . 0.428 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 22.6 m -103.79 125.34 50.17 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.311 -0.868 . . . . 0.0 110.364 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 683' ' ' SER . . . . . 0.482 ' OG ' ' NE1' ' A' ' 656' ' ' TRP . 12.0 t -68.93 141.29 55.04 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.33 -0.856 . . . . 0.0 110.002 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . 0.536 ' CD2' ' N ' ' A' ' 684' ' ' LEU . 0.6 OUTLIER -152.7 179.38 8.67 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.174 -0.954 . . . . 0.0 110.757 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -60.24 84.7 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.416 -0.803 . . . . 0.0 110.039 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 686' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 163.09 -39.92 0.34 Allowed Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 687' ' ' TRP . . . . . 0.428 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 51.5 m0 -88.91 37.87 0.86 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.174 -1.192 . . . . 0.0 110.058 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 688' ' ' GLU . . . . . 0.581 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.4 mt-10 -89.35 -49.0 0.4 Allowed Pre-proline 0 N--CA 1.493 1.71 0 O-C-N 121.322 -0.861 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 689' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.4 Cg_endo -71.81 -2.63 11.75 Favored 'Trans proline' 0 C--N 1.316 -1.177 0 O-C-N 123.231 1.121 . . . . 0.0 110.036 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 690' ' ' SER . . . . . 0.63 ' CB ' ' CE1' ' A' ' 675' ' ' TYR . 4.7 p 58.07 56.89 4.33 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.351 -0.843 . . . . 0.0 109.474 -179.153 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -89.38 24.05 2.35 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.471 -0.768 . . . . 0.0 110.844 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 692' ' ' VAL . . . . . 0.421 ' O ' ' HB2' ' A' ' 696' ' ' TRP . 2.1 m -139.93 88.58 11.85 Favored Pre-proline 0 N--CA 1.492 1.634 0 O-C-N 121.143 -0.973 . . . . 0.0 110.163 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -61.81 -11.16 19.65 Favored 'Trans proline' 0 C--N 1.314 -1.249 0 O-C-N 123.795 1.418 . . . . 0.0 110.75 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -62.84 -33.29 74.93 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.226 -0.921 . . . . 0.0 110.476 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 695' ' ' LEU . . . . . 0.545 ' CD1' ' CD1' ' A' ' 696' ' ' TRP . 3.5 pp -140.21 10.33 2.33 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.028 -1.045 . . . . 0.0 110.925 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 696' ' ' TRP . . . . . 0.549 ' HA ' ' CE3' ' A' ' 696' ' ' TRP . 0.4 OUTLIER -130.39 88.85 2.69 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.935 -1.103 . . . . 0.0 110.936 -179.736 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 697' ' ' GLN . . . . . 0.459 ' O ' ' HG2' ' A' ' 676' ' ' LYS . 2.0 tp-100 -99.83 115.29 29.24 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.199 -0.938 . . . . 0.0 109.385 179.144 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . 0.57 ' HB3' ' CE1' ' A' ' 675' ' ' TYR . 0.9 OUTLIER -89.82 -175.16 4.54 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.075 -1.016 . . . . 0.0 110.91 -179.189 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 699' ' ' GLN . . . . . 0.442 ' N ' HD12 ' A' ' 698' ' ' LEU . 1.9 pt20 . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.555 -0.715 . . . . 0.0 110.07 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 656' ' ' TRP . . . . . 0.427 ' C ' ' HG2' ' A' ' 657' ' ' GLN . 57.9 t90 . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.241 0.543 . . . . 0.0 110.143 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 657' ' ' GLN . . . . . 0.427 ' HG2' ' C ' ' A' ' 656' ' ' TRP . 1.9 mt-30 -127.06 131.32 50.94 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.178 -0.951 . . . . 0.0 110.299 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 658' ' ' VAL . . . . . . . . . . . . . 5.7 m -69.59 166.97 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.232 -0.917 . . . . 0.0 109.952 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 49.22 50.58 17.78 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.132 -0.98 . . . . 0.0 109.75 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 660' ' ' THR . . . . . 0.496 HG22 ' N ' ' A' ' 661' ' ' ALA . 55.2 m -133.57 168.44 18.65 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.189 -0.944 . . . . 0.0 110.413 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . 0.496 ' N ' HG22 ' A' ' 660' ' ' THR . . . -117.24 106.32 13.17 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.282 -0.886 . . . . 0.0 110.018 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -101.13 155.72 17.84 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.228 -0.92 . . . . 0.0 110.319 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 663' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 62.5 p -100.8 -173.21 2.33 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.232 -0.918 . . . . 0.0 110.297 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 664' ' ' ALA . . . . . 0.432 ' HB2' ' HA ' ' A' ' 679' ' ' GLN . . . -81.36 124.95 29.81 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.296 -0.878 . . . . 0.0 110.172 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 89.92 27.8 20.33 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -87.93 172.2 9.76 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.163 -1.198 . . . . 0.0 110.05 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -130.65 127.85 39.77 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.095 -1.003 . . . . 0.0 110.445 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 668' ' ' VAL . . . . . 0.515 ' CG2' ' HB2' ' A' ' 675' ' ' TYR . 3.0 m -135.25 171.11 18.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.435 -0.791 . . . . 0.0 109.955 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 17.4 p . . . . . 0 N--CA 1.49 1.545 0 O-C-N 121.197 -0.94 . . . . 0.0 110.157 179.708 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 674' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.349 0.595 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 675' ' ' TYR . . . . . 0.515 ' HB2' ' CG2' ' A' ' 668' ' ' VAL . 20.4 m-85 -131.01 167.57 18.83 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.227 -0.921 . . . . 0.0 110.007 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 697' ' ' GLN . 3.0 mptt -138.63 101.04 4.24 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.177 -0.952 . . . . 0.0 110.604 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.89 146.91 16.33 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.187 -0.946 . . . . 0.0 109.89 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -127.98 -5.36 5.62 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.234 -0.916 . . . . 0.0 110.521 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 679' ' ' GLN . . . . . 0.432 ' HA ' ' HB2' ' A' ' 664' ' ' ALA . 2.0 tt0 -144.01 143.8 24.11 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.108 -0.995 . . . . 0.0 110.371 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 680' ' ' PRO . . . . . 0.501 ' O ' ' ND1' ' A' ' 681' ' ' HIS . 2.9 Cg_endo -63.68 94.1 0.18 Allowed 'Trans proline' 0 C--N 1.315 -1.237 0 O-C-N 123.558 1.294 . . . . 0.0 110.82 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 681' ' ' HIS . . . . . 0.501 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 4.7 m-70 -138.61 179.76 6.28 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.227 -0.921 . . . . 0.0 109.792 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 49.4 m -117.36 131.71 56.73 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.175 -0.953 . . . . 0.0 110.452 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.63 148.77 27.78 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.297 -0.877 . . . . 0.0 109.88 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . 0.492 ' CD2' ' N ' ' A' ' 684' ' ' LEU . 0.6 OUTLIER -147.91 -176.24 5.2 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.269 -0.894 . . . . 0.0 110.496 -179.881 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -67.3 81.8 0.14 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.294 -0.879 . . . . 0.0 110.13 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 686' ' ' GLY . . . . . 0.413 ' O ' ' HD2' ' A' ' 689' ' ' PRO . . . 162.13 -29.43 0.28 Allowed Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.743 -1.343 . . . . 0.0 109.743 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 28.5 m0 -86.7 32.79 0.65 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.148 -1.207 . . . . 0.0 110.373 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 688' ' ' GLU . . . . . 0.596 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.4 mt-10 -88.92 -47.01 0.43 Allowed Pre-proline 0 N--CA 1.496 1.837 0 O-C-N 121.182 -0.949 . . . . 0.0 111.109 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 689' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.8 Cg_endo -68.76 -3.9 12.2 Favored 'Trans proline' 0 C--N 1.313 -1.309 0 O-C-N 123.186 1.098 . . . . 0.0 110.683 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 690' ' ' SER . . . . . 0.505 ' OG ' ' O ' ' A' ' 690' ' ' SER . 1.3 p 69.34 57.28 0.36 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.414 -0.804 . . . . 0.0 110.171 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 691' ' ' ASN . . . . . 0.415 ' C ' ' HD3' ' A' ' 693' ' ' PRO . 48.7 m-20 -79.42 -14.29 59.03 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.977 -1.077 . . . . 0.0 110.428 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 692' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 692' ' ' VAL . 19.7 m -116.27 76.76 7.0 Favored Pre-proline 0 N--CA 1.492 1.657 0 O-C-N 121.302 -0.874 . . . . 0.0 110.07 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 693' ' ' PRO . . . . . 0.415 ' HD3' ' C ' ' A' ' 691' ' ' ASN . 3.1 Cg_exo -58.69 -21.16 54.48 Favored 'Trans proline' 0 C--N 1.309 -1.51 0 O-C-N 123.618 1.325 . . . . 0.0 110.345 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -51.54 -44.3 62.6 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.19 -0.944 . . . . 0.0 110.029 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 695' ' ' LEU . . . . . 0.578 HD13 ' CG ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -109.5 -12.39 14.7 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.198 -0.939 . . . . 0.0 109.995 179.854 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 696' ' ' TRP . . . . . 0.578 ' CG ' HD13 ' A' ' 695' ' ' LEU . 0.6 OUTLIER -99.33 108.25 20.73 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.093 -1.004 . . . . 0.0 109.824 179.505 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 697' ' ' GLN . . . . . 0.483 ' O ' ' HB2' ' A' ' 676' ' ' LYS . 4.8 tp60 -102.54 84.29 2.41 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.213 -0.929 . . . . 0.0 110.317 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 16.3 tp -58.0 151.81 17.74 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.214 -0.929 . . . . 0.0 110.097 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 699' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.258 -0.901 . . . . 0.0 110.251 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 656' ' ' TRP . . . . . 0.572 ' CZ3' ' CG2' ' A' ' 658' ' ' VAL . 84.1 t90 . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.184 0.516 . . . . 0.0 110.317 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -103.82 123.11 46.5 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.26 -0.9 . . . . 0.0 110.079 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 658' ' ' VAL . . . . . 0.572 ' CG2' ' CZ3' ' A' ' 656' ' ' TRP . 57.4 t -57.9 146.34 7.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.184 -0.947 . . . . 0.0 110.197 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 7.7 t30 61.16 49.84 5.31 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.199 -0.938 . . . . 0.0 110.117 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 34.9 m -135.23 131.82 37.1 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.357 -0.839 . . . . 0.0 110.228 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -69.13 141.49 54.63 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.146 -0.971 . . . . 0.0 110.244 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -136.73 160.35 39.12 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.378 -0.826 . . . . 0.0 110.004 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 663' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 1.6 p -110.08 -177.61 3.3 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.174 -0.954 . . . . 0.0 110.076 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 664' ' ' ALA . . . . . 0.523 ' CB ' ' HD3' ' A' ' 680' ' ' PRO . . . -79.43 159.12 27.16 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.183 -0.948 . . . . 0.0 110.229 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 665' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 61.03 20.45 57.95 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.617 -1.393 . . . . 0.0 109.617 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 666' ' ' GLN . . . . . 0.457 ' HA ' ' OE1' ' A' ' 666' ' ' GLN . 0.0 OUTLIER -81.75 177.94 8.6 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.185 -1.185 . . . . 0.0 110.142 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 4.6 tt -142.76 104.29 4.33 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.105 -0.997 . . . . 0.0 110.333 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 668' ' ' VAL . . . . . . . . . . . . . 3.0 m -110.02 170.84 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.285 -0.885 . . . . 0.0 109.855 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 3.2 p . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.046 -1.034 . . . . 0.0 110.276 179.85 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 674' ' ' THR . . . . . . . . . . . . . 14.9 m . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 675' ' ' TYR . . . . . 0.522 ' HA ' ' HA ' ' A' ' 698' ' ' LEU . 14.3 m-85 -132.83 158.1 43.35 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.131 -0.981 . . . . 0.0 111.157 -179.399 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.42 114.72 11.66 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.478 -0.764 . . . . 0.0 109.948 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . 0.409 ' HB2' ' HB3' ' A' ' 666' ' ' GLN . 0.1 OUTLIER -65.34 136.57 56.71 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.266 -0.896 . . . . 0.0 110.288 -179.765 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -109.21 -14.25 14.52 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.223 -0.923 . . . . 0.0 110.153 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 679' ' ' GLN . . . . . 0.449 ' HA ' ' HB3' ' A' ' 664' ' ' ALA . 4.2 mt-30 -143.09 143.42 24.75 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.293 -0.879 . . . . 0.0 110.299 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 680' ' ' PRO . . . . . 0.523 ' HD3' ' CB ' ' A' ' 664' ' ' ALA . 3.0 Cg_endo -62.14 107.54 0.57 Allowed 'Trans proline' 0 C--N 1.312 -1.38 0 O-C-N 123.696 1.366 . . . . 0.0 110.724 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 681' ' ' HIS . . . . . 0.51 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 25.7 m-70 -143.99 -161.46 1.28 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.341 -0.85 . . . . 0.0 110.064 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 24.4 m -132.81 124.74 28.58 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.193 -0.942 . . . . 0.0 110.505 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 69.2 p -75.83 143.91 41.59 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.366 -0.834 . . . . 0.0 110.14 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . 0.474 HD23 ' O ' ' A' ' 684' ' ' LEU . 0.8 OUTLIER -146.44 176.44 9.8 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.211 -0.93 . . . . 0.0 110.649 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -63.83 74.15 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.312 -0.867 . . . . 0.0 110.244 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 686' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 173.65 -29.17 0.09 OUTLIER Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 25.8 m0 -85.65 31.54 0.6 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.201 -1.176 . . . . 0.0 110.37 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 688' ' ' GLU . . . . . 0.606 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 2.3 mt-10 -87.64 -47.8 0.47 Allowed Pre-proline 0 N--CA 1.495 1.791 0 O-C-N 121.137 -0.977 . . . . 0.0 110.372 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 689' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.7 Cg_endo -70.91 -3.44 12.78 Favored 'Trans proline' 0 C--N 1.313 -1.291 0 O-C-N 123.316 1.166 . . . . 0.0 110.058 179.534 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 690' ' ' SER . . . . . 0.481 ' OG ' ' O ' ' A' ' 689' ' ' PRO . 3.8 p 62.14 57.13 2.09 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.512 -0.743 . . . . 0.0 110.139 -179.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 691' ' ' ASN . . . . . 0.446 ' OD1' ' HB2' ' A' ' 689' ' ' PRO . 6.6 m-20 -79.41 -6.17 56.26 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.262 -0.899 . . . . 0.0 109.671 179.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 692' ' ' VAL . . . . . 0.496 HG22 ' O ' ' A' ' 692' ' ' VAL . 27.3 m -122.26 70.81 33.43 Favored Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.37 -0.831 . . . . 0.0 110.177 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 693' ' ' PRO . . . . . 0.421 ' HD3' ' C ' ' A' ' 691' ' ' ASN . 3.1 Cg_exo -59.02 -19.76 50.11 Favored 'Trans proline' 0 C--N 1.31 -1.459 0 O-C-N 123.649 1.341 . . . . 0.0 110.616 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -52.17 -39.66 60.36 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.237 -0.914 . . . . 0.0 110.104 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 695' ' ' LEU . . . . . 0.607 HD13 ' CG ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -115.17 -10.92 12.09 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.326 -0.859 . . . . 0.0 110.268 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 696' ' ' TRP . . . . . 0.607 ' CG ' HD13 ' A' ' 695' ' ' LEU . 0.6 OUTLIER -105.13 95.87 6.14 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.188 -0.945 . . . . 0.0 110.105 179.294 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -99.76 102.31 13.72 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.104 -0.998 . . . . 0.0 109.906 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . 0.522 ' HA ' ' HA ' ' A' ' 675' ' ' TYR . 1.0 OUTLIER -97.15 -172.25 2.39 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.191 -0.943 . . . . 0.0 110.745 -179.642 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 699' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.445 -0.784 . . . . 0.0 110.131 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 656' ' ' TRP . . . . . 0.577 ' CZ2' ' HA ' ' A' ' 658' ' ' VAL . 36.3 t90 . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.26 0.552 . . . . 0.0 110.111 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -118.24 108.9 15.7 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.195 -0.941 . . . . 0.0 110.251 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 658' ' ' VAL . . . . . 0.577 ' HA ' ' CZ2' ' A' ' 656' ' ' TRP . 2.2 p -53.76 147.93 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.142 -0.974 . . . . 0.0 110.061 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 659' ' ' ASN . . . . . 0.408 ' HA ' ' O ' ' A' ' 683' ' ' SER . 4.4 m-20 57.78 56.5 4.76 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.252 -0.905 . . . . 0.0 110.123 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 99.1 m -138.71 144.08 39.39 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.252 -0.905 . . . . 0.0 110.21 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -87.79 122.44 31.45 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.112 -0.993 . . . . 0.0 110.207 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 662' ' ' TYR . . . . . 0.463 ' O ' ' HA ' ' A' ' 680' ' ' PRO . 19.4 m-85 -114.79 157.49 23.17 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.134 -0.979 . . . . 0.0 110.326 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 663' ' ' THR . . . . . 0.431 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 16.3 p -100.7 -167.11 1.39 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.306 -0.871 . . . . 0.0 110.062 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 664' ' ' ALA . . . . . 0.441 ' HB1' ' HD3' ' A' ' 680' ' ' PRO . . . -90.11 108.34 19.67 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.223 -0.923 . . . . 0.0 110.084 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 110.9 30.62 3.16 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 666' ' ' GLN . . . . . 0.543 ' HB2' ' CB ' ' A' ' 677' ' ' CYS . 4.0 mm-40 -90.4 168.38 11.91 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.316 -1.108 . . . . 0.0 109.826 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -130.73 105.13 7.59 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.136 -0.978 . . . . 0.0 110.541 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 668' ' ' VAL . . . . . 0.469 HG21 ' HB2' ' A' ' 675' ' ' TYR . 2.3 m -113.65 173.04 3.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.351 -0.843 . . . . 0.0 109.67 179.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 18.3 p . . . . . 0 N--CA 1.494 1.728 0 O-C-N 121.026 -1.046 . . . . 0.0 110.777 179.948 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 674' ' ' THR . . . . . . . . . . . . . 22.9 m . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.203 0.525 . . . . 0.0 109.642 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 675' ' ' TYR . . . . . 0.586 ' CE2' ' HB2' ' A' ' 698' ' ' LEU . 39.9 m-85 -115.38 157.27 24.13 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.145 -0.972 . . . . 0.0 110.461 -179.59 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 697' ' ' GLN . 0.7 OUTLIER -124.54 92.7 3.71 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.305 -0.872 . . . . 0.0 109.909 179.797 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . 0.543 ' CB ' ' HB2' ' A' ' 666' ' ' GLN . 0.0 OUTLIER -47.99 143.46 4.26 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.145 -0.972 . . . . 0.0 109.87 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.493 HD11 ' NE2' ' A' ' 697' ' ' GLN . 6.9 tt -127.91 -4.95 5.69 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.298 -0.876 . . . . 0.0 110.61 -179.326 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 679' ' ' GLN . . . . . 0.425 ' CB ' ' HB2' ' A' ' 695' ' ' LEU . 0.7 OUTLIER -140.55 140.05 21.7 Favored Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.055 -1.028 . . . . 0.0 110.34 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 680' ' ' PRO . . . . . 0.463 ' HA ' ' O ' ' A' ' 662' ' ' TYR . 2.9 Cg_endo -63.38 94.22 0.17 Allowed 'Trans proline' 0 C--N 1.313 -1.341 0 O-C-N 123.513 1.27 . . . . 0.0 110.355 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 681' ' ' HIS . . . . . 0.442 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 0.4 OUTLIER -135.72 -174.01 3.53 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.163 -0.961 . . . . 0.0 110.29 -179.802 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 682' ' ' THR . . . . . 0.471 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 53.4 m -120.77 124.66 45.65 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.241 -0.912 . . . . 0.0 110.248 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 683' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' A' ' 659' ' ' ASN . 1.1 t -84.84 147.82 26.61 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.294 -0.879 . . . . 0.0 109.952 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . 0.492 ' N ' HD21 ' A' ' 684' ' ' LEU . 0.7 OUTLIER -152.65 -177.01 5.97 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.212 -0.93 . . . . 0.0 110.122 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -63.39 76.09 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.263 -0.898 . . . . 0.0 110.218 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 686' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 173.5 -35.62 0.12 Allowed Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 687' ' ' TRP . . . . . 0.471 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 44.5 m0 -89.82 40.24 0.99 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.295 -1.121 . . . . 0.0 109.785 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 688' ' ' GLU . . . . . 0.589 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.0 OUTLIER -88.93 -48.06 0.42 Allowed Pre-proline 0 N--CA 1.494 1.759 0 O-C-N 121.414 -0.804 . . . . 0.0 110.495 -179.689 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 689' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.7 Cg_endo -71.41 0.12 7.31 Favored 'Trans proline' 0 C--N 1.315 -1.216 0 O-C-N 123.211 1.111 . . . . 0.0 110.552 179.625 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 690' ' ' SER . . . . . 0.514 ' CB ' ' CE2' ' A' ' 675' ' ' TYR . 1.3 t 59.63 61.7 1.9 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.328 -0.857 . . . . 0.0 109.625 -179.391 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 691' ' ' ASN . . . . . 0.461 ' OD1' ' HB2' ' A' ' 689' ' ' PRO . 7.3 m-20 -85.36 5.14 32.06 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.223 -0.923 . . . . 0.0 110.441 -179.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 692' ' ' VAL . . . . . 0.466 HG21 ' CD1' ' A' ' 695' ' ' LEU . 12.3 m -129.51 85.42 58.85 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.046 -1.034 . . . . 0.0 110.608 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -61.21 -12.75 24.73 Favored 'Trans proline' 0 C--N 1.31 -1.457 0 O-C-N 123.692 1.364 . . . . 0.0 110.472 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -60.5 -36.43 78.32 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.331 -0.856 . . . . 0.0 110.373 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 695' ' ' LEU . . . . . 0.61 HD13 ' CG ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -121.8 -11.83 8.53 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.186 -0.946 . . . . 0.0 110.298 -179.818 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 696' ' ' TRP . . . . . 0.61 ' CG ' HD13 ' A' ' 695' ' ' LEU . 0.9 OUTLIER -101.22 109.23 21.06 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.163 -0.96 . . . . 0.0 110.117 179.495 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 697' ' ' GLN . . . . . 0.493 ' NE2' HD11 ' A' ' 678' ' ' LEU . 0.4 OUTLIER -102.02 73.4 1.38 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.112 -0.992 . . . . 0.0 109.977 179.737 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . 0.586 ' HB2' ' CE2' ' A' ' 675' ' ' TYR . 43.7 tp -53.98 161.1 1.3 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.291 -0.881 . . . . 0.0 110.329 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 699' ' ' GLN . . . . . 0.521 ' N ' ' HG ' ' A' ' 698' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.599 0 O-C-N 121.305 -0.872 . . . . 0.0 110.275 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 656' ' ' TRP . . . . . 0.415 ' CZ3' ' HB ' ' A' ' 658' ' ' VAL . 86.2 t90 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.202 0.525 . . . . 0.0 110.094 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -122.76 123.23 40.59 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.268 -0.895 . . . . 0.0 110.243 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 658' ' ' VAL . . . . . 0.468 HG23 ' N ' ' A' ' 659' ' ' ASN . 7.7 p -68.23 156.32 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.346 -0.846 . . . . 0.0 110.242 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 659' ' ' ASN . . . . . 0.468 ' N ' HG23 ' A' ' 658' ' ' VAL . 0.8 OUTLIER 58.68 49.57 10.04 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.24 -0.913 . . . . 0.0 110.015 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 27.9 m -139.68 132.73 29.54 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.274 -0.891 . . . . 0.0 110.364 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -78.34 119.37 21.59 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.267 -0.896 . . . . 0.0 110.149 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -107.36 146.34 31.72 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.29 -0.881 . . . . 0.0 110.146 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 663' ' ' THR . . . . . 0.421 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 1.4 p -100.9 163.52 12.26 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.204 -0.935 . . . . 0.0 110.262 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 664' ' ' ALA . . . . . 0.457 ' CB ' ' HD3' ' A' ' 680' ' ' PRO . . . -58.93 119.73 7.76 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.309 -0.87 . . . . 0.0 110.412 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 665' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 100.58 29.33 6.66 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 666' ' ' GLN . . . . . 0.48 ' HB2' ' HB3' ' A' ' 677' ' ' CYS . 1.3 tm0? -90.23 -178.12 5.31 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.151 -1.205 . . . . 0.0 110.335 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 667' ' ' LEU . . . . . 0.403 ' C ' HG11 ' A' ' 668' ' ' VAL . 0.4 OUTLIER -141.79 116.78 9.92 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.343 -0.848 . . . . 0.0 110.401 -179.831 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 668' ' ' VAL . . . . . 0.478 ' CG2' ' HB2' ' A' ' 675' ' ' TYR . 2.4 m -129.8 156.27 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.117 -0.989 . . . . 0.0 109.903 179.713 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 669' ' ' THR . . . . . 0.417 HG22 ' C ' ' A' ' 668' ' ' VAL . 23.4 p . . . . . 0 N--CA 1.492 1.651 0 O-C-N 121.064 -1.023 . . . . 0.0 110.088 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 674' ' ' THR . . . . . 0.477 ' HB ' ' HG3' ' A' ' 699' ' ' GLN . 1.7 m . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 121.229 0.538 . . . . 0.0 109.835 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 675' ' ' TYR . . . . . 0.608 ' CE1' ' HB3' ' A' ' 698' ' ' LEU . 36.1 m-85 -131.81 159.7 37.77 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.25 -0.906 . . . . 0.0 110.64 -179.584 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . 0.464 ' HG2' ' HB3' ' A' ' 697' ' ' GLN . 0.0 OUTLIER -140.15 129.85 24.42 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.351 -0.843 . . . . 0.0 109.528 179.291 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . 0.482 ' O ' ' N ' ' A' ' 665' ' ' GLY . 0.5 OUTLIER -75.93 138.16 40.82 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.311 -0.868 . . . . 0.0 110.25 -179.692 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.451 ' CD1' ' HB2' ' A' ' 697' ' ' GLN . 0.1 OUTLIER -116.25 -7.82 11.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.299 -0.875 . . . . 0.0 110.564 -179.775 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 679' ' ' GLN . . . . . 0.523 ' HB3' ' CE1' ' A' ' 681' ' ' HIS . 0.2 OUTLIER -146.78 141.16 15.8 Favored Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.1 -1.0 . . . . 0.0 110.439 -179.892 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 680' ' ' PRO . . . . . 0.457 ' HD3' ' CB ' ' A' ' 664' ' ' ALA . 3.1 Cg_exo -61.76 95.46 0.13 Allowed 'Trans proline' 0 C--N 1.314 -1.252 0 O-C-N 123.496 1.261 . . . . 0.0 110.664 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 681' ' ' HIS . . . . . 0.523 ' CE1' ' HB3' ' A' ' 679' ' ' GLN . 20.1 m80 -131.09 -166.16 1.66 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.267 -0.895 . . . . 0.0 110.167 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 682' ' ' THR . . . . . 0.58 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 53.8 m -123.73 122.83 39.1 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.237 -0.914 . . . . 0.0 110.547 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 48.2 p -86.85 137.79 32.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.276 -0.89 . . . . 0.0 109.925 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . 0.506 ' O ' ' N ' ' A' ' 686' ' ' GLY . 0.6 OUTLIER -146.94 -177.53 5.71 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.218 -0.926 . . . . 0.0 110.611 -179.862 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -62.56 74.06 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.335 -0.853 . . . . 0.0 110.071 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 686' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 176.38 -37.81 0.1 OUTLIER Glycine 0 N--CA 1.489 2.171 0 N-CA-C 109.418 -1.473 . . . . 0.0 109.418 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 687' ' ' TRP . . . . . 0.58 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 40.0 m0 -89.07 38.91 0.91 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.149 -1.207 . . . . 0.0 110.253 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 688' ' ' GLU . . . . . 0.603 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.7 mt-10 -88.11 -48.53 0.44 Allowed Pre-proline 0 N--CA 1.494 1.766 0 O-C-N 121.268 -0.895 . . . . 0.0 110.41 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 689' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.5 Cg_endo -71.1 -2.51 11.23 Favored 'Trans proline' 0 C--N 1.314 -1.238 0 O-C-N 123.346 1.182 . . . . 0.0 110.346 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 690' ' ' SER . . . . . 0.528 ' CB ' ' CE1' ' A' ' 675' ' ' TYR . 1.7 p 64.37 62.87 0.79 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.308 -0.87 . . . . 0.0 109.861 -179.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -85.17 6.94 23.67 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.141 -0.974 . . . . 0.0 110.811 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 692' ' ' VAL . . . . . 0.466 ' O ' HG21 ' A' ' 692' ' ' VAL . 25.7 m -137.46 84.41 23.41 Favored Pre-proline 0 N--CA 1.493 1.688 0 O-C-N 120.984 -1.072 . . . . 0.0 110.552 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -60.51 -15.58 37.07 Favored 'Trans proline' 0 C--N 1.312 -1.38 0 O-C-N 123.68 1.358 . . . . 0.0 110.545 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -49.58 -37.81 28.9 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.187 -0.946 . . . . 0.0 109.958 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 695' ' ' LEU . . . . . 0.469 ' C ' ' CD1' ' A' ' 695' ' ' LEU . 1.1 pp -129.92 -1.34 4.71 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.241 -0.912 . . . . 0.0 110.015 179.665 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 696' ' ' TRP . . . . . 0.526 ' HA ' ' CE3' ' A' ' 696' ' ' TRP . 0.7 OUTLIER -111.36 92.39 4.02 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.232 -0.917 . . . . 0.0 109.786 179.574 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 697' ' ' GLN . . . . . 0.464 ' HB3' ' HG2' ' A' ' 676' ' ' LYS . 16.4 tt0 -99.22 108.23 20.75 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.189 -0.944 . . . . 0.0 109.784 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . 0.608 ' HB3' ' CE1' ' A' ' 675' ' ' TYR . 0.9 OUTLIER -96.39 -174.27 3.01 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.356 -0.84 . . . . 0.0 110.762 -179.409 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 699' ' ' GLN . . . . . 0.564 ' N ' ' CD1' ' A' ' 698' ' ' LEU . 2.7 pt20 . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.49 -0.756 . . . . 0.0 110.161 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 656' ' ' TRP . . . . . 0.457 ' HB2' ' HB ' ' A' ' 668' ' ' VAL . 66.9 t90 . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 121.219 0.533 . . . . 0.0 110.332 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -135.8 139.65 43.64 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.273 -0.892 . . . . 0.0 110.12 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 658' ' ' VAL . . . . . 0.452 ' HB ' ' CH2' ' A' ' 656' ' ' TRP . 3.6 p -79.2 148.97 5.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.275 -0.89 . . . . 0.0 110.432 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 39.5 t30 60.07 43.04 14.86 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.38 -0.825 . . . . 0.0 109.767 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 92.6 m -125.42 149.28 48.34 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.426 -0.797 . . . . 0.0 110.102 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . 0.411 ' HA ' ' HA ' ' A' ' 682' ' ' THR . . . -101.37 113.67 26.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.255 -0.903 . . . . 0.0 110.206 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -101.89 157.61 16.73 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.351 -0.843 . . . . 0.0 110.018 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 1.5 p -99.52 178.88 4.73 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.269 -0.895 . . . . 0.0 110.07 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 664' ' ' ALA . . . . . 0.499 ' CB ' ' HD3' ' A' ' 680' ' ' PRO . . . -73.57 124.09 25.23 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.202 -0.936 . . . . 0.0 110.127 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 665' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 92.15 27.78 15.09 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.389 -1.485 . . . . 0.0 109.389 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -88.13 177.55 6.87 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.233 -1.157 . . . . 0.0 110.217 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 667' ' ' LEU . . . . . 0.485 ' C ' ' CD2' ' A' ' 667' ' ' LEU . 2.2 tt -136.56 128.64 29.6 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.229 -0.92 . . . . 0.0 110.454 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 668' ' ' VAL . . . . . 0.48 HG22 ' CH2' ' A' ' 696' ' ' TRP . 2.9 m -133.39 164.87 33.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.391 -0.818 . . . . 0.0 109.772 179.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 69.4 p . . . . . 0 N--CA 1.491 1.603 0 O-C-N 120.993 -1.067 . . . . 0.0 110.545 -179.773 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 674' ' ' THR . . . . . 0.502 ' HB ' ' NE2' ' A' ' 699' ' ' GLN . 2.6 m . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 121.363 0.601 . . . . 0.0 110.605 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 675' ' ' TYR . . . . . 0.498 ' HA ' ' HA ' ' A' ' 698' ' ' LEU . 87.9 m-85 -122.22 166.55 14.44 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.363 -0.836 . . . . 0.0 110.127 179.612 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . 0.48 ' HB2' ' O ' ' A' ' 697' ' ' GLN . 0.7 OUTLIER -129.55 101.18 5.82 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.146 -0.971 . . . . 0.0 110.58 -179.741 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . 0.524 ' O ' ' N ' ' A' ' 665' ' ' GLY . 0.0 OUTLIER -50.15 141.19 11.61 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.315 -0.865 . . . . 0.0 110.059 179.81 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.441 ' O ' ' HB2' ' A' ' 664' ' ' ALA . 3.3 tt -118.7 -15.74 9.45 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.386 -0.821 . . . . 0.0 110.296 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -136.12 140.46 33.08 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.145 -0.972 . . . . 0.0 110.194 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 680' ' ' PRO . . . . . 0.515 ' O ' ' ND1' ' A' ' 681' ' ' HIS . 2.9 Cg_endo -62.5 98.62 0.19 Allowed 'Trans proline' 0 C--N 1.312 -1.348 0 O-C-N 123.522 1.275 . . . . 0.0 110.475 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 681' ' ' HIS . . . . . 0.515 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 4.9 m-70 -137.74 -166.03 1.88 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.239 -0.913 . . . . 0.0 110.072 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 682' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' A' ' 661' ' ' ALA . 8.2 m -128.03 123.79 35.55 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.247 -0.908 . . . . 0.0 109.847 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.82 137.94 31.89 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.282 -0.886 . . . . 0.0 109.98 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . 0.627 ' N ' ' CD1' ' A' ' 684' ' ' LEU . 0.0 OUTLIER -141.45 -166.38 2.18 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.302 -0.874 . . . . 0.0 110.592 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -61.65 82.53 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.202 -0.936 . . . . 0.0 110.12 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 686' ' ' GLY . . . . . 0.501 ' O ' ' HD2' ' A' ' 689' ' ' PRO . . . 158.44 -36.32 0.52 Allowed Glycine 0 N--CA 1.489 2.187 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 687' ' ' TRP . . . . . 0.446 ' CZ3' ' HB3' ' A' ' 681' ' ' HIS . 1.8 m0 -84.85 26.96 0.78 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.155 -1.203 . . . . 0.0 110.667 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 688' ' ' GLU . . . . . 0.608 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 5.6 mt-10 -90.88 -45.1 0.38 Allowed Pre-proline 0 N--CA 1.498 1.949 0 O-C-N 121.046 -1.034 . . . . 0.0 111.869 -179.266 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 689' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.6 Cg_endo -68.15 -3.23 10.34 Favored 'Trans proline' 0 C--N 1.315 -1.209 0 O-C-N 122.985 0.992 . . . . 0.0 110.939 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 690' ' ' SER . . . . . 0.469 ' OG ' ' O ' ' A' ' 689' ' ' PRO . 1.3 p 65.64 47.37 2.19 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.127 -0.983 . . . . 0.0 109.635 -179.428 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 691' ' ' ASN . . . . . 0.452 ' OD1' HG12 ' A' ' 692' ' ' VAL . 11.1 p30 -83.2 16.25 2.52 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.242 -0.911 . . . . 0.0 110.57 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 692' ' ' VAL . . . . . 0.529 HG21 ' CD1' ' A' ' 695' ' ' LEU . 14.4 m -138.76 76.13 35.46 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.081 -1.012 . . . . 0.0 110.089 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -59.65 -15.92 33.96 Favored 'Trans proline' 0 C--N 1.311 -1.406 0 O-C-N 123.696 1.366 . . . . 0.0 110.505 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -60.69 -42.61 97.48 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.309 -0.869 . . . . 0.0 109.955 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 695' ' ' LEU . . . . . 0.576 ' CD1' ' N ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -108.69 -13.99 14.7 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.185 -0.947 . . . . 0.0 109.874 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 696' ' ' TRP . . . . . 0.576 ' N ' ' CD1' ' A' ' 695' ' ' LEU . 0.2 OUTLIER -99.49 127.03 45.53 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.323 -0.861 . . . . 0.0 110.187 179.915 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 697' ' ' GLN . . . . . 0.48 ' O ' ' HB2' ' A' ' 676' ' ' LYS . 6.1 tp-100 -108.77 72.01 0.8 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.254 -0.904 . . . . 0.0 109.602 179.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . 0.498 ' HA ' ' HA ' ' A' ' 675' ' ' TYR . 22.4 tp -54.27 156.82 2.98 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.283 -0.886 . . . . 0.0 110.819 -179.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 699' ' ' GLN . . . . . 0.502 ' NE2' ' HB ' ' A' ' 674' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.415 -0.803 . . . . 0.0 110.196 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 656' ' ' TRP . . . . . 0.543 ' CH2' ' HB ' ' A' ' 658' ' ' VAL . 78.4 t90 . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 121.367 0.603 . . . . 0.0 110.369 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 657' ' ' GLN . . . . . 0.418 ' N ' ' CG ' ' A' ' 656' ' ' TRP . 37.5 mt-30 -143.94 134.44 24.76 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.325 -0.86 . . . . 0.0 109.896 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 658' ' ' VAL . . . . . 0.543 ' HB ' ' CH2' ' A' ' 656' ' ' TRP . 3.4 p -77.71 148.2 6.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.261 -0.899 . . . . 0.0 110.763 -179.479 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 659' ' ' ASN . . . . . 0.437 ' CB ' ' O ' ' A' ' 658' ' ' VAL . 4.1 t-20 65.71 51.86 1.38 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.438 -0.789 . . . . 0.0 110.374 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 660' ' ' THR . . . . . 0.447 ' CG2' ' N ' ' A' ' 661' ' ' ALA . 31.0 m -137.73 169.66 17.4 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.308 -0.87 . . . . 0.0 110.1 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . 0.447 ' N ' ' CG2' ' A' ' 660' ' ' THR . . . -115.16 117.7 31.26 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.297 -0.877 . . . . 0.0 110.478 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -109.93 156.32 20.59 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.163 -0.961 . . . . 0.0 110.179 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.52 170.93 7.65 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.271 -0.893 . . . . 0.0 110.025 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 664' ' ' ALA . . . . . 0.525 ' CB ' ' HD3' ' A' ' 680' ' ' PRO . . . -68.73 103.99 1.89 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.239 -0.913 . . . . 0.0 110.107 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 119.56 28.44 1.93 Allowed Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 666' ' ' GLN . . . . . 0.446 ' NE2' HG13 ' A' ' 668' ' ' VAL . 0.0 OUTLIER -88.98 170.41 10.69 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.224 -1.162 . . . . 0.0 109.988 179.855 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.22 92.82 2.83 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.165 -0.959 . . . . 0.0 110.398 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 668' ' ' VAL . . . . . 0.446 HG13 ' NE2' ' A' ' 666' ' ' GLN . 2.1 m -100.59 172.75 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.347 -0.846 . . . . 0.0 110.055 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 669' ' ' THR . . . . . 0.403 HG22 ' HA ' ' A' ' 674' ' ' THR . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.204 -0.935 . . . . 0.0 109.959 179.249 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 674' ' ' THR . . . . . 0.403 ' HA ' HG22 ' A' ' 669' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 121.156 0.503 . . . . 0.0 109.703 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 675' ' ' TYR . . . . . 0.61 ' CD2' ' HB3' ' A' ' 698' ' ' LEU . 17.6 m-85 -133.27 157.67 44.86 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.223 -0.923 . . . . 0.0 110.676 -179.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . 0.46 ' HB3' ' O ' ' A' ' 697' ' ' GLN . 0.1 OUTLIER -140.56 120.44 13.54 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.329 -0.857 . . . . 0.0 109.904 179.816 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.64 142.79 56.29 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.152 -0.968 . . . . 0.0 110.287 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 1.5 tt -120.42 -6.21 9.81 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.242 -0.911 . . . . 0.0 110.114 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 679' ' ' GLN . . . . . 0.485 ' HB3' ' NE2' ' A' ' 681' ' ' HIS . 30.5 mt-30 -140.5 139.45 20.45 Favored Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.261 -0.9 . . . . 0.0 110.098 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 680' ' ' PRO . . . . . 0.525 ' HD3' ' CB ' ' A' ' 664' ' ' ALA . 3.0 Cg_exo -62.99 96.07 0.17 Allowed 'Trans proline' 0 C--N 1.314 -1.256 0 O-C-N 123.486 1.256 . . . . 0.0 110.326 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 681' ' ' HIS . . . . . 0.514 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 17.0 m-70 -138.78 -164.59 1.67 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.211 -0.93 . . . . 0.0 110.308 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 8.2 m -127.84 122.71 33.3 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.307 -0.871 . . . . 0.0 110.089 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.06 142.92 43.68 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.214 -0.929 . . . . 0.0 110.229 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 686' ' ' GLY . 0.8 OUTLIER -146.52 178.41 8.31 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.29 -0.881 . . . . 0.0 110.618 -179.906 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -64.51 70.67 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.332 -0.855 . . . . 0.0 110.171 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 686' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . -179.22 -32.93 0.06 OUTLIER Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 32.0 m0 -88.86 38.64 0.89 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.237 -1.155 . . . . 0.0 110.213 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 688' ' ' GLU . . . . . 0.582 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.6 mt-10 -90.01 -48.29 0.38 Allowed Pre-proline 0 N--CA 1.497 1.877 0 O-C-N 121.269 -0.894 . . . . 0.0 110.88 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 689' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.8 Cg_endo -69.1 -5.3 15.46 Favored 'Trans proline' 0 C--N 1.314 -1.253 0 O-C-N 123.281 1.148 . . . . 0.0 110.237 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 690' ' ' SER . . . . . 0.465 ' OG ' ' O ' ' A' ' 689' ' ' PRO . 1.7 p 62.67 52.8 2.72 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.441 -0.787 . . . . 0.0 110.134 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 691' ' ' ASN . . . . . 0.471 ' OD1' HG11 ' A' ' 692' ' ' VAL . 26.3 p30 -82.29 16.29 2.09 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.191 -0.943 . . . . 0.0 110.482 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 692' ' ' VAL . . . . . 0.515 ' CG2' HD13 ' A' ' 695' ' ' LEU . 3.4 m -137.22 75.81 45.78 Favored Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.173 -0.954 . . . . 0.0 109.688 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -59.98 -14.01 25.92 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 O-C-N 123.725 1.382 . . . . 0.0 110.772 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 694' ' ' ALA . . . . . 0.433 ' O ' ' OE1' ' A' ' 679' ' ' GLN . . . -67.37 -39.13 85.66 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.247 -0.908 . . . . 0.0 110.408 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 695' ' ' LEU . . . . . 0.585 HD11 ' CG ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -114.99 -14.04 11.87 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.171 -0.956 . . . . 0.0 110.378 -179.835 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 696' ' ' TRP . . . . . 0.585 ' CG ' HD11 ' A' ' 695' ' ' LEU . 1.6 m95 -111.46 93.84 4.67 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.074 -1.016 . . . . 0.0 110.148 179.659 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 697' ' ' GLN . . . . . 0.46 ' O ' ' HB3' ' A' ' 676' ' ' LYS . 22.4 tt0 -99.65 111.66 23.98 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.181 -0.95 . . . . 0.0 109.611 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . 0.61 ' HB3' ' CD2' ' A' ' 675' ' ' TYR . 0.5 OUTLIER -99.84 -167.74 1.5 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.194 -0.941 . . . . 0.0 110.88 -179.211 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 699' ' ' GLN . . . . . 0.532 ' N ' HD12 ' A' ' 698' ' ' LEU . 12.4 pt20 . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.35 -0.844 . . . . 0.0 110.258 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 656' ' ' TRP . . . . . 0.487 ' O ' ' CG ' ' A' ' 657' ' ' GLN . 89.2 t90 . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 121.399 0.619 . . . . 0.0 110.579 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 657' ' ' GLN . . . . . 0.487 ' CG ' ' O ' ' A' ' 656' ' ' TRP . 32.3 mt-30 -156.7 146.7 21.05 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.409 -0.807 . . . . 0.0 109.858 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 658' ' ' VAL . . . . . 0.508 HG22 ' N ' ' A' ' 659' ' ' ASN . 4.9 p -86.75 149.01 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.203 -0.936 . . . . 0.0 110.439 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 659' ' ' ASN . . . . . 0.508 ' N ' HG22 ' A' ' 658' ' ' VAL . 28.9 t30 64.49 50.57 2.18 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.465 -0.772 . . . . 0.0 110.241 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 6.3 m -134.79 172.27 13.2 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.248 -0.908 . . . . 0.0 110.148 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -113.57 109.49 18.71 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.229 -0.919 . . . . 0.0 110.06 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -102.53 155.13 18.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.186 -0.946 . . . . 0.0 110.41 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 663' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 13.9 p -103.07 -166.98 1.33 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.27 -0.894 . . . . 0.0 109.933 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 664' ' ' ALA . . . . . 0.415 ' CB ' ' HD3' ' A' ' 680' ' ' PRO . . . -86.87 148.9 25.17 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.156 -0.965 . . . . 0.0 110.139 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 665' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 63.96 29.45 74.88 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.621 -1.391 . . . . 0.0 109.621 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 666' ' ' GLN . . . . . 0.418 ' HB2' ' HB3' ' A' ' 677' ' ' CYS . 0.0 OUTLIER -86.91 171.86 10.49 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.218 -1.166 . . . . 0.0 110.099 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.63 125.91 39.12 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.219 -0.926 . . . . 0.0 110.303 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 668' ' ' VAL . . . . . 0.565 HG21 ' CH2' ' A' ' 696' ' ' TRP . 3.0 m -135.69 160.91 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.345 -0.847 . . . . 0.0 110.0 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 34.8 p . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.246 -0.909 . . . . 0.0 110.113 179.813 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 674' ' ' THR . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 121.208 0.528 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 675' ' ' TYR . . . . . 0.571 ' CE1' ' CB ' ' A' ' 698' ' ' LEU . 28.4 m-85 -133.53 155.2 50.02 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.174 -0.954 . . . . 0.0 110.603 -179.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.87 113.81 10.5 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.367 -0.833 . . . . 0.0 110.099 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 665' ' ' GLY . 4.8 t -69.05 141.96 54.66 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.289 -0.882 . . . . 0.0 110.1 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.439 ' O ' ' NE2' ' A' ' 679' ' ' GLN . 2.1 mp -113.78 -20.0 11.3 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.242 -0.911 . . . . 0.0 110.256 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 679' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 678' ' ' LEU . 91.2 mm-40 -136.06 145.99 54.7 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.342 -0.849 . . . . 0.0 110.275 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 680' ' ' PRO . . . . . 0.509 ' O ' ' ND1' ' A' ' 681' ' ' HIS . 2.9 Cg_endo -62.12 106.3 0.46 Allowed 'Trans proline' 0 C--N 1.311 -1.402 0 O-C-N 123.639 1.337 . . . . 0.0 110.496 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 681' ' ' HIS . . . . . 0.509 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 22.2 m-70 -142.49 174.31 10.74 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.185 -0.947 . . . . 0.0 110.215 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 94.9 m -111.36 121.7 45.92 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.223 -0.923 . . . . 0.0 110.419 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.57 148.58 36.95 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.226 -0.921 . . . . 0.0 109.896 179.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . 0.499 ' CD2' ' N ' ' A' ' 684' ' ' LEU . 0.9 OUTLIER -149.91 -179.39 7.1 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.081 -1.012 . . . . 0.0 110.605 -179.822 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -63.95 78.03 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.315 -0.866 . . . . 0.0 110.08 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 686' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 169.39 -35.17 0.18 Allowed Glycine 0 N--CA 1.49 2.233 0 N-CA-C 109.376 -1.49 . . . . 0.0 109.376 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 30.7 m0 -87.22 33.34 0.68 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.234 -1.157 . . . . 0.0 110.105 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 688' ' ' GLU . . . . . 0.597 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.8 mt-10 -87.35 -48.65 0.47 Allowed Pre-proline 0 N--CA 1.495 1.795 0 O-C-N 121.304 -0.873 . . . . 0.0 110.038 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 689' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.6 Cg_endo -70.71 -3.98 13.73 Favored 'Trans proline' 0 C--N 1.314 -1.266 0 O-C-N 123.389 1.205 . . . . 0.0 110.075 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 690' ' ' SER . . . . . 0.5 ' OG ' ' O ' ' A' ' 690' ' ' SER . 1.7 p 67.06 67.57 0.41 Allowed 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 121.733 0.778 . . . . 0.0 109.967 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -90.14 -1.1 57.9 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.165 -0.959 . . . . 0.0 110.92 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 692' ' ' VAL . . . . . 0.484 ' O ' HG23 ' A' ' 692' ' ' VAL . 25.4 m -126.03 83.68 62.74 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.003 -1.061 . . . . 0.0 110.61 -179.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -60.98 -12.35 22.19 Favored 'Trans proline' 0 C--N 1.31 -1.46 0 O-C-N 123.54 1.284 . . . . 0.0 110.487 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -58.38 -37.69 75.77 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.338 -0.851 . . . . 0.0 110.386 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 695' ' ' LEU . . . . . 0.584 HD12 ' CG ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -123.45 -12.66 7.72 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.169 -0.957 . . . . 0.0 110.362 -179.747 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 696' ' ' TRP . . . . . 0.584 ' CG ' HD12 ' A' ' 695' ' ' LEU . 0.6 OUTLIER -100.36 103.67 15.07 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.101 -0.999 . . . . 0.0 110.2 179.752 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 14.2 tp60 -100.29 91.96 4.97 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.279 -0.888 . . . . 0.0 110.037 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . 0.571 ' CB ' ' CE1' ' A' ' 675' ' ' TYR . 0.3 OUTLIER -90.65 165.68 13.58 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.237 -0.914 . . . . 0.0 110.415 -179.682 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 699' ' ' GLN . . . . . 0.489 ' N ' HD11 ' A' ' 698' ' ' LEU . 1.4 pp0? . . . . . 0 N--CA 1.491 1.62 0 O-C-N 121.369 -0.832 . . . . 0.0 110.189 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 656' ' ' TRP . . . . . 0.452 ' HB2' HG21 ' A' ' 668' ' ' VAL . 66.9 t90 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.233 0.539 . . . . 0.0 110.386 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -123.83 164.63 18.82 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.319 -0.863 . . . . 0.0 110.007 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 658' ' ' VAL . . . . . 0.428 HG11 ' CH2' ' A' ' 656' ' ' TRP . 15.3 m -89.2 154.78 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.275 -0.891 . . . . 0.0 110.171 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 659' ' ' ASN . . . . . 0.416 ' CB ' ' O ' ' A' ' 658' ' ' VAL . 0.2 OUTLIER 63.5 50.01 2.96 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.238 -0.914 . . . . 0.0 109.994 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 660' ' ' THR . . . . . 0.507 HG21 ' N ' ' A' ' 661' ' ' ALA . 91.7 m -135.79 161.4 35.7 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.249 -0.907 . . . . 0.0 110.319 -179.723 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . 0.507 ' N ' HG21 ' A' ' 660' ' ' THR . . . -109.69 127.89 54.89 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.233 -0.917 . . . . 0.0 110.102 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -118.59 157.07 28.06 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.205 -0.934 . . . . 0.0 110.342 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.41 167.97 9.4 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.177 -0.952 . . . . 0.0 109.949 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 664' ' ' ALA . . . . . 0.51 ' CB ' ' HD3' ' A' ' 680' ' ' PRO . . . -66.94 121.91 16.57 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.199 -0.938 . . . . 0.0 110.26 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 96.18 25.45 12.63 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 666' ' ' GLN . . . . . 0.436 ' HA ' ' OE1' ' A' ' 666' ' ' GLN . 0.0 OUTLIER -83.5 172.31 12.52 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.144 -1.21 . . . . 0.0 110.282 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 667' ' ' LEU . . . . . 0.497 ' CD2' ' HB2' ' A' ' 676' ' ' LYS . 26.8 mt -137.6 95.99 3.16 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.289 -0.882 . . . . 0.0 110.179 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 668' ' ' VAL . . . . . 0.452 HG21 ' HB2' ' A' ' 656' ' ' TRP . 2.6 m -105.68 176.55 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.419 -0.8 . . . . 0.0 109.988 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 74.7 p . . . . . 0 N--CA 1.492 1.627 0 O-C-N 121.271 -0.893 . . . . 0.0 110.111 179.593 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 674' ' ' THR . . . . . 0.418 ' O ' ' HB2' ' A' ' 698' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 675' ' ' TYR . . . . . 0.591 ' CD2' ' HB3' ' A' ' 698' ' ' LEU . 14.8 m-85 -131.86 159.5 38.39 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.18 -0.95 . . . . 0.0 111.096 -179.16 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . 0.497 ' HB2' ' CD2' ' A' ' 667' ' ' LEU . 0.0 OUTLIER -140.48 118.96 12.22 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.415 -0.803 . . . . 0.0 109.668 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.13 148.67 49.61 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.25 -0.906 . . . . 0.0 110.575 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 678' ' ' LEU . 1.2 tt -121.1 -13.03 8.62 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.33 -0.856 . . . . 0.0 110.511 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 679' ' ' GLN . . . . . 0.497 ' HB3' ' CD2' ' A' ' 681' ' ' HIS . 0.0 OUTLIER -136.76 145.12 49.68 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.105 -0.997 . . . . 0.0 110.316 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 680' ' ' PRO . . . . . 0.542 ' O ' ' ND1' ' A' ' 681' ' ' HIS . 3.1 Cg_exo -62.14 111.63 1.31 Allowed 'Trans proline' 0 C--N 1.312 -1.359 0 O-C-N 123.651 1.343 . . . . 0.0 110.801 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 681' ' ' HIS . . . . . 0.542 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 35.1 m-70 -156.01 -160.95 1.07 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.272 -0.893 . . . . 0.0 110.079 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 682' ' ' THR . . . . . 0.552 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 5.8 m -136.9 134.2 36.56 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.042 -1.036 . . . . 0.0 110.617 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 683' ' ' SER . . . . . 0.424 ' HB3' ' CZ2' ' A' ' 656' ' ' TRP . 55.6 m -80.76 149.12 29.77 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.306 -0.871 . . . . 0.0 109.796 179.516 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . 0.55 ' CD2' ' N ' ' A' ' 684' ' ' LEU . 0.6 OUTLIER -154.36 -177.53 6.52 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.336 -0.852 . . . . 0.0 110.396 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -64.65 77.25 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.284 -0.885 . . . . 0.0 110.334 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 686' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 169.12 -31.92 0.17 Allowed Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.844 -1.302 . . . . 0.0 109.844 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 687' ' ' TRP . . . . . 0.552 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 35.0 m0 -86.43 32.52 0.64 Allowed 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.065 -1.256 . . . . 0.0 110.42 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 688' ' ' GLU . . . . . 0.599 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.1 mt-10 -89.12 -48.08 0.41 Allowed Pre-proline 0 N--CA 1.495 1.815 0 O-C-N 121.138 -0.976 . . . . 0.0 110.663 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 689' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.5 Cg_endo -70.35 -0.73 7.84 Favored 'Trans proline' 0 C--N 1.314 -1.256 0 O-C-N 123.279 1.147 . . . . 0.0 110.779 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 690' ' ' SER . . . . . 0.463 ' OG ' ' O ' ' A' ' 689' ' ' PRO . 3.9 p 60.12 53.53 4.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.227 -0.921 . . . . 0.0 110.024 -179.454 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -84.89 17.11 2.98 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.269 -0.894 . . . . 0.0 110.382 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 692' ' ' VAL . . . . . 0.527 ' CG2' HD11 ' A' ' 695' ' ' LEU . 3.4 m -136.99 78.33 41.27 Favored Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.268 -0.895 . . . . 0.0 109.822 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -62.6 -9.45 15.97 Favored 'Trans proline' 0 C--N 1.311 -1.411 0 O-C-N 123.713 1.375 . . . . 0.0 110.781 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -74.47 -29.18 61.35 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.158 -0.964 . . . . 0.0 110.795 -179.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 695' ' ' LEU . . . . . 0.599 HD12 ' CG ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -124.98 -12.7 6.97 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.968 -1.082 . . . . 0.0 110.921 -179.485 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 696' ' ' TRP . . . . . 0.599 ' CG ' HD12 ' A' ' 695' ' ' LEU . 0.8 OUTLIER -111.25 93.12 4.32 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.972 -1.08 . . . . 0.0 110.173 179.775 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 697' ' ' GLN . . . . . 0.462 ' O ' ' HB3' ' A' ' 676' ' ' LYS . 1.8 tt0 -99.57 109.36 21.88 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.294 -0.879 . . . . 0.0 109.222 179.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . 0.591 ' HB3' ' CD2' ' A' ' 675' ' ' TYR . 0.7 OUTLIER -96.02 -167.27 1.56 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.097 -1.002 . . . . 0.0 111.051 -179.216 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 699' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.475 -0.766 . . . . 0.0 110.28 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 656' ' ' TRP . . . . . 0.49 ' CZ3' HG22 ' A' ' 658' ' ' VAL . 50.0 t90 . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.316 0.579 . . . . 0.0 110.219 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -120.7 137.36 54.52 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.329 -0.857 . . . . 0.0 110.049 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 658' ' ' VAL . . . . . 0.49 HG22 ' CZ3' ' A' ' 656' ' ' TRP . 3.7 t -76.16 144.67 11.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.219 -0.926 . . . . 0.0 110.116 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 659' ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' ' 658' ' ' VAL . 1.4 t-20 65.69 55.75 0.97 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.248 -0.907 . . . . 0.0 110.305 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 91.2 m -140.09 138.63 35.48 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.212 -0.93 . . . . 0.0 110.233 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -83.08 113.49 20.65 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.238 -0.913 . . . . 0.0 110.111 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 662' ' ' TYR . . . . . 0.459 ' O ' ' HA ' ' A' ' 680' ' ' PRO . 46.3 m-85 -102.46 152.42 21.14 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.216 -0.928 . . . . 0.0 110.38 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 663' ' ' THR . . . . . 0.461 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 23.3 p -99.87 162.91 12.7 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.376 -0.828 . . . . 0.0 110.243 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 664' ' ' ALA . . . . . 0.453 ' HB1' ' HA ' ' A' ' 679' ' ' GLN . . . -57.5 133.93 55.65 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.274 -0.891 . . . . 0.0 110.16 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 665' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 81.75 29.32 39.4 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 666' ' ' GLN . . . . . 0.526 ' CB ' ' HB2' ' A' ' 677' ' ' CYS . 1.0 OUTLIER -85.35 164.37 18.0 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.271 -1.135 . . . . 0.0 110.067 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 667' ' ' LEU . . . . . 0.482 ' CD1' ' C ' ' A' ' 667' ' ' LEU . 1.7 tm? -127.5 106.74 9.39 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.319 -0.863 . . . . 0.0 110.32 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 668' ' ' VAL . . . . . 0.526 HG21 ' CH2' ' A' ' 696' ' ' TRP . 2.9 m -118.11 167.24 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.153 -0.967 . . . . 0.0 109.952 179.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 60.7 p . . . . . 0 N--CA 1.489 1.517 0 O-C-N 121.185 -0.947 . . . . 0.0 110.365 179.758 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 674' ' ' THR . . . . . 0.445 ' O ' HD12 ' A' ' 698' ' ' LEU . 85.0 m . . . . . 0 N--CA 1.492 1.651 0 N-CA-C 109.649 -0.501 . . . . 0.0 109.649 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 675' ' ' TYR . . . . . 0.596 ' CE2' ' HB2' ' A' ' 698' ' ' LEU . 27.6 m-85 -114.82 168.8 9.58 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.218 -0.926 . . . . 0.0 110.959 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . 0.473 ' HG3' HD22 ' A' ' 667' ' ' LEU . 0.0 OUTLIER -138.44 102.77 4.71 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.548 -0.72 . . . . 0.0 110.209 -179.704 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . 0.526 ' HB2' ' CB ' ' A' ' 666' ' ' GLN . 0.0 OUTLIER -58.29 143.88 43.15 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.127 -0.983 . . . . 0.0 110.065 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.443 ' O ' ' HB1' ' A' ' 664' ' ' ALA . 3.0 tp -116.36 -19.99 9.91 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.286 -0.884 . . . . 0.0 110.649 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 679' ' ' GLN . . . . . 0.453 ' HA ' ' HB1' ' A' ' 664' ' ' ALA . 11.8 mm100 -135.84 143.36 44.16 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 120.993 -1.067 . . . . 0.0 110.571 -179.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 680' ' ' PRO . . . . . 0.461 ' HA ' ' HA ' ' A' ' 663' ' ' THR . 2.8 Cg_endo -63.35 92.76 0.16 Allowed 'Trans proline' 0 C--N 1.314 -1.246 0 O-C-N 123.582 1.307 . . . . 0.0 110.228 179.651 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 681' ' ' HIS . . . . . 0.4 ' NE2' ' HB3' ' A' ' 679' ' ' GLN . 10.5 m-70 -131.0 -166.07 1.65 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.248 -0.908 . . . . 0.0 110.355 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 4.1 m -126.03 118.96 26.42 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.256 -0.903 . . . . 0.0 110.343 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 49.4 m -90.08 140.44 29.65 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.239 -0.913 . . . . 0.0 109.717 179.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . 0.628 ' N ' ' CD1' ' A' ' 684' ' ' LEU . 0.0 OUTLIER -137.22 -167.67 2.15 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.262 -0.899 . . . . 0.0 110.888 -179.652 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -67.01 82.05 0.11 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.347 -0.846 . . . . 0.0 110.26 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 686' ' ' GLY . . . . . 0.428 ' O ' ' HD2' ' A' ' 689' ' ' PRO . . . 164.87 -31.48 0.24 Allowed Glycine 0 N--CA 1.489 2.223 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 2.3 m0 -86.72 32.89 0.65 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.117 -1.225 . . . . 0.0 110.464 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 688' ' ' GLU . . . . . 0.612 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 2.5 mt-10 -86.31 -45.83 0.57 Allowed Pre-proline 0 N--CA 1.494 1.762 0 O-C-N 121.168 -0.957 . . . . 0.0 110.704 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 689' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.8 Cg_endo -68.41 -6.36 17.37 Favored 'Trans proline' 0 C--N 1.315 -1.186 0 O-C-N 123.21 1.11 . . . . 0.0 110.05 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 690' ' ' SER . . . . . 0.495 ' O ' ' OG ' ' A' ' 690' ' ' SER . 1.3 p 68.72 56.48 0.44 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.439 -0.788 . . . . 0.0 109.81 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -79.56 6.34 10.73 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.23 -0.919 . . . . 0.0 110.569 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 692' ' ' VAL . . . . . 0.499 HG21 ' CD1' ' A' ' 695' ' ' LEU . 18.3 m -137.89 81.69 27.44 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.071 -1.018 . . . . 0.0 110.521 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.05 -20.99 70.15 Favored 'Trans proline' 0 C--N 1.311 -1.435 0 O-C-N 123.745 1.392 . . . . 0.0 110.534 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -49.87 -37.72 32.36 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.209 -0.932 . . . . 0.0 110.12 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 695' ' ' LEU . . . . . 0.584 HD12 ' CG ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -122.68 -12.15 8.13 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.26 -0.9 . . . . 0.0 110.311 -179.917 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 696' ' ' TRP . . . . . 0.584 ' CG ' HD12 ' A' ' 695' ' ' LEU . 0.8 OUTLIER -103.66 101.47 11.32 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.002 -1.061 . . . . 0.0 110.024 179.552 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 697' ' ' GLN . . . . . 0.4 ' O ' ' HB2' ' A' ' 676' ' ' LYS . 35.1 tp60 -100.93 97.54 8.12 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.193 -0.942 . . . . 0.0 110.158 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . 0.596 ' HB2' ' CE2' ' A' ' 675' ' ' TYR . 20.5 tp -75.01 160.26 30.75 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.162 -0.961 . . . . 0.0 110.246 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 699' ' ' GLN . . . . . 0.523 ' N ' ' HG ' ' A' ' 698' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.238 -0.914 . . . . 0.0 110.164 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 656' ' ' TRP . . . . . 0.418 ' NE1' ' OG ' ' A' ' 683' ' ' SER . 67.1 t90 . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.327 0.584 . . . . 0.0 110.222 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -151.98 119.07 5.86 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.254 -0.903 . . . . 0.0 110.013 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 658' ' ' VAL . . . . . . . . . . . . . 3.1 p -50.98 149.87 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.181 -0.949 . . . . 0.0 110.254 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 60.95 52.29 4.21 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.279 -0.888 . . . . 0.0 110.026 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 660' ' ' THR . . . . . 0.475 HG22 ' CZ ' ' A' ' 662' ' ' TYR . 50.5 m -140.22 139.37 35.61 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.256 -0.903 . . . . 0.0 110.407 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -77.69 143.54 38.03 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.184 -0.948 . . . . 0.0 110.353 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 662' ' ' TYR . . . . . 0.475 ' CZ ' HG22 ' A' ' 660' ' ' THR . 29.0 m-85 -137.82 148.79 45.79 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.29 -0.881 . . . . 0.0 110.274 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 40.6 p -100.03 178.36 4.82 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.255 -0.903 . . . . 0.0 110.093 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 664' ' ' ALA . . . . . 0.534 ' CB ' ' HD3' ' A' ' 680' ' ' PRO . . . -81.83 131.47 35.26 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.228 -0.92 . . . . 0.0 110.195 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 665' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 85.97 26.93 32.88 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 666' ' ' GLN . . . . . 0.444 ' O ' ' HG ' ' A' ' 667' ' ' LEU . 0.0 OUTLIER -89.14 -178.2 5.61 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.144 -1.209 . . . . 0.0 109.815 179.773 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 667' ' ' LEU . . . . . 0.46 ' HA ' ' HA ' ' A' ' 676' ' ' LYS . 9.1 mt -142.68 99.38 3.47 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.014 -1.054 . . . . 0.0 110.907 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 668' ' ' VAL . . . . . 0.464 ' O ' HG21 ' A' ' 669' ' ' THR . 3.4 m -107.02 174.85 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.353 -0.842 . . . . 0.0 109.463 179.331 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 669' ' ' THR . . . . . 0.464 HG21 ' O ' ' A' ' 668' ' ' VAL . 68.1 p . . . . . 0 N--CA 1.492 1.651 0 O-C-N 120.951 -1.093 . . . . 0.0 110.22 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 674' ' ' THR . . . . . 0.446 ' HB ' ' HG3' ' A' ' 699' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 121.165 0.507 . . . . 0.0 109.934 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 675' ' ' TYR . . . . . 0.637 ' CE2' ' CB ' ' A' ' 690' ' ' SER . 17.9 m-85 -133.47 164.37 27.29 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.291 -0.88 . . . . 0.0 110.855 -179.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 667' ' ' LEU . 0.0 OUTLIER -141.24 143.02 33.91 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.519 -0.738 . . . . 0.0 109.74 179.584 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . 0.527 ' O ' ' N ' ' A' ' 665' ' ' GLY . 4.9 t -87.68 144.22 26.76 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.091 -1.006 . . . . 0.0 109.979 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.462 ' O ' ' HB3' ' A' ' 664' ' ' ALA . 0.0 OUTLIER -109.97 -22.52 11.8 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.229 -0.919 . . . . 0.0 110.231 -179.896 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 679' ' ' GLN . . . . . 0.417 ' HA ' ' HB3' ' A' ' 664' ' ' ALA . 2.1 mt-30 -133.91 143.44 47.47 Favored Pre-proline 0 N--CA 1.493 1.696 0 O-C-N 121.296 -0.878 . . . . 0.0 110.249 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 680' ' ' PRO . . . . . 0.534 ' HD3' ' CB ' ' A' ' 664' ' ' ALA . 2.8 Cg_endo -62.99 100.44 0.25 Allowed 'Trans proline' 0 C--N 1.312 -1.386 0 O-C-N 123.562 1.296 . . . . 0.0 110.467 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 681' ' ' HIS . . . . . 0.507 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 7.6 m-70 -139.81 -173.12 3.55 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.209 -0.932 . . . . 0.0 110.059 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 42.3 m -118.25 121.92 41.66 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.135 -0.978 . . . . 0.0 110.26 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 683' ' ' SER . . . . . 0.418 ' OG ' ' NE1' ' A' ' 656' ' ' TRP . 1.2 t -71.3 144.23 50.04 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.266 -0.896 . . . . 0.0 109.883 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 686' ' ' GLY . 0.8 OUTLIER -146.77 -177.17 5.51 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.27 -0.894 . . . . 0.0 110.584 -179.877 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -64.25 73.23 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.391 -0.818 . . . . 0.0 110.241 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 686' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 176.75 -33.23 0.08 OUTLIER Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 37.9 m0 -86.59 33.03 0.64 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.219 -1.165 . . . . 0.0 110.296 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 688' ' ' GLU . . . . . 0.587 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.9 mt-10 -89.62 -48.71 0.39 Allowed Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 121.187 -0.945 . . . . 0.0 110.428 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 689' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.5 Cg_endo -70.46 -4.64 14.9 Favored 'Trans proline' 0 C--N 1.313 -1.291 0 O-C-N 123.242 1.127 . . . . 0.0 109.942 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 690' ' ' SER . . . . . 0.637 ' CB ' ' CE2' ' A' ' 675' ' ' TYR . 0.1 OUTLIER 56.72 44.8 22.99 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.365 -0.835 . . . . 0.0 109.471 -179.295 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -79.93 6.59 10.85 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.451 -0.781 . . . . 0.0 110.009 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 692' ' ' VAL . . . . . 0.523 ' CG2' HD11 ' A' ' 695' ' ' LEU . 6.7 m -122.8 81.5 49.23 Favored Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.311 -0.868 . . . . 0.0 109.884 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -61.37 -15.58 41.59 Favored 'Trans proline' 0 C--N 1.309 -1.501 0 O-C-N 123.788 1.415 . . . . 0.0 110.277 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -57.6 -27.05 62.38 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.327 -0.858 . . . . 0.0 110.494 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 695' ' ' LEU . . . . . 0.572 HD12 ' N ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -140.99 5.05 1.91 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.132 -0.98 . . . . 0.0 111.002 179.921 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 696' ' ' TRP . . . . . 0.572 ' N ' HD12 ' A' ' 695' ' ' LEU . 2.1 m95 -129.18 92.94 3.47 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.036 -1.04 . . . . 0.0 110.471 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -100.95 135.22 42.75 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.219 -0.926 . . . . 0.0 109.619 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . 0.6 ' HB3' ' CE2' ' A' ' 675' ' ' TYR . 0.9 OUTLIER -114.12 -172.36 2.08 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.868 -1.145 . . . . 0.0 110.974 -179.373 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 699' ' ' GLN . . . . . 0.446 ' HG3' ' HB ' ' A' ' 674' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.489 -0.757 . . . . 0.0 110.212 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 656' ' ' TRP . . . . . 0.467 ' HA ' ' HB ' ' A' ' 668' ' ' VAL . 52.2 t90 . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 121.238 0.542 . . . . 0.0 110.205 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 657' ' ' GLN . . . . . 0.408 ' O ' ' OG1' ' A' ' 660' ' ' THR . 71.7 mt-30 -122.47 116.43 23.93 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.355 -0.841 . . . . 0.0 110.152 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 658' ' ' VAL . . . . . . . . . . . . . 2.8 p -59.13 155.45 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.253 -0.904 . . . . 0.0 110.181 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 48.69 63.27 2.17 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.322 -0.861 . . . . 0.0 109.859 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 660' ' ' THR . . . . . 0.413 ' O ' ' HA ' ' A' ' 682' ' ' THR . 29.8 m -140.32 158.12 44.52 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.319 -0.863 . . . . 0.0 110.403 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -99.18 112.9 24.94 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.328 -0.858 . . . . 0.0 110.236 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -113.86 138.5 50.22 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.237 -0.914 . . . . 0.0 110.166 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 663' ' ' THR . . . . . 0.464 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 60.4 p -100.43 149.35 23.75 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.268 -0.895 . . . . 0.0 110.11 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 664' ' ' ALA . . . . . 0.529 ' CB ' ' HD3' ' A' ' 680' ' ' PRO . . . -42.68 132.95 3.61 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.281 -0.887 . . . . 0.0 110.292 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 665' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 92.92 21.33 30.99 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.767 -1.333 . . . . 0.0 109.767 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 666' ' ' GLN . . . . . 0.536 ' CB ' ' HB2' ' A' ' 677' ' ' CYS . 1.1 mm-40 -88.48 -179.64 6.12 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.185 -1.185 . . . . 0.0 109.99 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 667' ' ' LEU . . . . . 0.456 ' HA ' ' HA ' ' A' ' 676' ' ' LYS . 3.3 mt -147.12 116.26 6.92 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.109 -0.994 . . . . 0.0 110.62 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 668' ' ' VAL . . . . . 0.467 ' HB ' ' HA ' ' A' ' 656' ' ' TRP . 3.1 m -124.45 169.37 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.381 -0.824 . . . . 0.0 109.731 179.641 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 669' ' ' THR . . . . . 0.456 HG22 ' HA ' ' A' ' 674' ' ' THR . 1.6 p . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.157 -0.964 . . . . 0.0 110.225 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 674' ' ' THR . . . . . 0.47 ' O ' ' HB2' ' A' ' 698' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.043 0.449 . . . . 0.0 109.853 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 675' ' ' TYR . . . . . 0.583 ' CE2' HD22 ' A' ' 698' ' ' LEU . 25.8 m-85 -132.13 160.96 34.48 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.115 -0.991 . . . . 0.0 110.896 -179.446 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . 0.537 ' CG ' ' HB3' ' A' ' 697' ' ' GLN . 0.5 OUTLIER -140.5 138.53 34.66 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.481 -0.762 . . . . 0.0 109.597 179.303 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . 0.536 ' HB2' ' CB ' ' A' ' 666' ' ' GLN . 0.0 OUTLIER -80.4 133.75 35.93 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.159 -0.963 . . . . 0.0 110.595 -179.495 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.461 ' O ' ' HB1' ' A' ' 664' ' ' ALA . 3.6 mm? -105.47 -21.08 13.29 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.304 -0.873 . . . . 0.0 110.121 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 679' ' ' GLN . . . . . 0.457 ' HA ' ' HB1' ' A' ' 664' ' ' ALA . 38.5 mt-30 -133.35 142.92 45.99 Favored Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.25 -0.906 . . . . 0.0 109.974 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 680' ' ' PRO . . . . . 0.529 ' HD3' ' CB ' ' A' ' 664' ' ' ALA . 2.9 Cg_endo -60.35 94.9 0.1 Allowed 'Trans proline' 0 C--N 1.312 -1.389 0 O-C-N 123.583 1.307 . . . . 0.0 110.914 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 681' ' ' HIS . . . . . 0.43 ' HB3' ' CZ3' ' A' ' 687' ' ' TRP . 11.4 m-70 -137.01 163.7 30.11 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.201 -0.937 . . . . 0.0 110.109 179.691 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 682' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 660' ' ' THR . 97.0 m -100.58 128.95 46.47 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.267 -0.896 . . . . 0.0 110.425 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.6 151.61 37.8 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.307 -0.871 . . . . 0.0 110.112 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . 0.551 ' CD2' ' N ' ' A' ' 684' ' ' LEU . 1.0 OUTLIER -153.37 179.27 8.92 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.324 -0.86 . . . . 0.0 110.421 179.897 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -64.56 69.75 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.24 -0.912 . . . . 0.0 110.165 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 686' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . -178.22 -32.97 0.05 OUTLIER Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 687' ' ' TRP . . . . . 0.43 ' CZ3' ' HB3' ' A' ' 681' ' ' HIS . 36.1 m0 -87.64 35.09 0.71 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.251 -1.147 . . . . 0.0 110.066 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 688' ' ' GLU . . . . . 0.584 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.1 mt-10 -89.84 -48.72 0.39 Allowed Pre-proline 0 N--CA 1.494 1.743 0 O-C-N 121.258 -0.901 . . . . 0.0 110.181 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 689' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.8 Cg_endo -71.73 -5.64 17.48 Favored 'Trans proline' 0 C--N 1.314 -1.283 0 O-C-N 123.217 1.114 . . . . 0.0 109.957 179.573 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 690' ' ' SER . . . . . 0.43 ' HB3' ' CE2' ' A' ' 675' ' ' TYR . 0.7 OUTLIER 64.16 61.54 0.91 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.394 -0.816 . . . . 0.0 110.124 -179.872 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -85.85 14.02 6.56 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.324 -0.86 . . . . 0.0 110.42 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 692' ' ' VAL . . . . . 0.489 ' CG2' HD13 ' A' ' 695' ' ' LEU . 17.9 m -140.05 76.96 26.63 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.041 -1.037 . . . . 0.0 110.547 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -60.84 -20.76 67.92 Favored 'Trans proline' 0 C--N 1.31 -1.488 0 O-C-N 123.594 1.313 . . . . 0.0 110.435 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -55.16 -40.48 70.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.334 -0.854 . . . . 0.0 110.316 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 695' ' ' LEU . . . . . 0.585 HD11 ' CG ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -113.94 -14.49 12.45 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.099 -1.001 . . . . 0.0 110.008 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 696' ' ' TRP . . . . . 0.585 ' CG ' HD11 ' A' ' 695' ' ' LEU . 0.5 OUTLIER -106.25 99.91 9.47 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.289 -0.882 . . . . 0.0 109.552 179.292 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 697' ' ' GLN . . . . . 0.537 ' HB3' ' CG ' ' A' ' 676' ' ' LYS . 5.1 tp60 -99.45 113.25 25.5 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.17 -0.956 . . . . 0.0 110.126 -179.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . 0.583 HD22 ' CE2' ' A' ' 675' ' ' TYR . 0.5 OUTLIER -105.3 -173.66 2.35 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.212 -0.93 . . . . 0.0 110.418 -179.758 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 699' ' ' GLN . . . . . 0.505 ' N ' HD13 ' A' ' 698' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.511 0 O-C-N 121.308 -0.87 . . . . 0.0 110.175 -179.903 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 656' ' ' TRP . . . . . 0.505 ' CZ3' HG23 ' A' ' 658' ' ' VAL . 84.4 t90 . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.275 0.56 . . . . 0.0 110.167 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -139.25 158.29 44.42 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.232 -0.918 . . . . 0.0 110.165 179.887 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 658' ' ' VAL . . . . . 0.505 HG23 ' CZ3' ' A' ' 656' ' ' TRP . 15.0 t -89.62 148.05 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.296 -0.878 . . . . 0.0 110.439 -179.631 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 62.3 52.46 3.1 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.226 -0.922 . . . . 0.0 110.124 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 92.7 m -133.51 160.53 37.17 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.263 -0.898 . . . . 0.0 110.49 -179.802 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -101.64 131.55 47.81 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.246 -0.909 . . . . 0.0 110.132 179.787 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -126.63 151.89 47.41 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.2 -0.937 . . . . 0.0 110.314 -179.787 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 33.9 p -104.08 172.56 6.73 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.292 -0.88 . . . . 0.0 109.916 179.82 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 664' ' ' ALA . . . . . 0.487 ' HB3' ' HA ' ' A' ' 679' ' ' GLN . . . -70.65 127.02 31.26 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.256 -0.902 . . . . 0.0 110.416 -179.808 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 665' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 94.28 27.54 11.88 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 179.736 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 666' ' ' GLN . . . . . 0.511 ' CB ' ' HB2' ' A' ' 677' ' ' CYS . 0.0 OUTLIER -90.7 172.17 8.85 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.244 -1.151 . . . . 0.0 110.483 -179.896 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 667' ' ' LEU . . . . . 0.404 HD21 ' HG3' ' A' ' 676' ' ' LYS . 1.6 mt -132.46 116.41 16.75 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.386 -0.821 . . . . 0.0 109.811 179.622 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 668' ' ' VAL . . . . . 0.466 ' HB ' ' HB2' ' A' ' 656' ' ' TRP . 2.4 m -123.22 164.68 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.037 -1.039 . . . . 0.0 110.384 -179.718 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.246 -0.908 . . . . 0.0 110.104 179.671 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 674' ' ' THR . . . . . 0.4 ' HB ' ' CG ' ' A' ' 699' ' ' GLN . 1.5 m . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.106 0.479 . . . . 0.0 109.855 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 675' ' ' TYR . . . . . 0.567 ' CE2' ' CB ' ' A' ' 690' ' ' SER . 52.8 m-85 -122.39 -179.08 4.07 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.102 -0.998 . . . . 0.0 110.534 -179.899 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 697' ' ' GLN . 0.5 OUTLIER -140.48 113.1 8.06 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.343 -0.848 . . . . 0.0 110.39 -179.745 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . 0.511 ' HB2' ' CB ' ' A' ' 666' ' ' GLN . 0.1 OUTLIER -61.09 133.12 55.71 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.153 -0.967 . . . . 0.0 109.821 179.579 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.455 ' O ' ' HB3' ' A' ' 664' ' ' ALA . 0.9 OUTLIER -110.29 -18.49 13.26 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.293 -0.879 . . . . 0.0 110.426 -179.676 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 679' ' ' GLN . . . . . 0.487 ' HA ' ' HB3' ' A' ' 664' ' ' ALA . 0.5 OUTLIER -144.36 149.92 46.23 Favored Pre-proline 0 N--CA 1.49 1.551 0 O-C-N 121.241 -0.912 . . . . 0.0 110.422 -179.704 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 680' ' ' PRO . . . . . 0.466 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.3 Cg_exo -58.04 105.72 0.22 Allowed 'Trans proline' 0 C--N 1.312 -1.394 0 O-C-N 123.724 1.381 . . . . 0.0 110.642 179.758 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 681' ' ' HIS . . . . . 0.444 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 9.9 m80 -146.16 167.79 22.57 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.224 -0.923 . . . . 0.0 110.249 -179.884 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 54.9 m -106.18 126.98 52.88 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.254 -0.904 . . . . 0.0 110.39 -179.802 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 35.3 p -78.91 145.35 34.14 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.28 -0.888 . . . . 0.0 109.972 179.716 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 686' ' ' GLY . 1.1 pt? -146.03 171.49 14.8 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.256 -0.902 . . . . 0.0 110.756 -179.778 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -63.15 75.51 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.314 -0.866 . . . . 0.0 110.135 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 686' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 173.72 -32.48 0.11 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.252 -1.539 . . . . 0.0 109.252 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 18.1 m0 -89.09 38.19 0.88 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.327 -1.102 . . . . 0.0 109.903 179.86 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 688' ' ' GLU . . . . . 0.607 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.7 mt-10 -87.98 -47.34 0.46 Allowed Pre-proline 0 N--CA 1.496 1.847 0 O-C-N 121.429 -0.794 . . . . 0.0 110.694 -179.878 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 689' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.8 Cg_endo -69.63 -3.51 12.08 Favored 'Trans proline' 0 C--N 1.316 -1.175 0 O-C-N 123.235 1.124 . . . . 0.0 110.467 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 690' ' ' SER . . . . . 0.567 ' CB ' ' CE2' ' A' ' 675' ' ' TYR . 1.5 p 64.3 56.28 1.34 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.303 -0.873 . . . . 0.0 109.703 -179.612 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 691' ' ' ASN . . . . . 0.44 ' O ' HG13 ' A' ' 692' ' ' VAL . 1.7 m-80 -81.92 13.67 3.17 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.286 -0.884 . . . . 0.0 110.855 -179.372 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 692' ' ' VAL . . . . . 0.467 ' O ' HG23 ' A' ' 692' ' ' VAL . 17.2 m -140.15 83.11 16.12 Favored Pre-proline 0 N--CA 1.494 1.727 0 O-C-N 120.97 -1.081 . . . . 0.0 110.529 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.11 -12.6 23.73 Favored 'Trans proline' 0 C--N 1.31 -1.473 0 O-C-N 123.654 1.344 . . . . 0.0 110.379 179.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -58.55 -39.39 80.08 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.318 -0.864 . . . . 0.0 110.457 -179.885 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 695' ' ' LEU . . . . . 0.576 HD12 ' CG ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -123.46 -11.5 7.85 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.238 -0.914 . . . . 0.0 110.211 -179.793 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 696' ' ' TRP . . . . . 0.576 ' CG ' HD12 ' A' ' 695' ' ' LEU . 0.4 OUTLIER -103.9 108.16 19.36 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.224 -0.923 . . . . 0.0 110.153 179.512 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 697' ' ' GLN . . . . . 0.473 ' O ' ' HB2' ' A' ' 676' ' ' LYS . 5.7 tt0 -99.94 93.92 6.02 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.156 -0.965 . . . . 0.0 109.82 179.828 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . 0.533 ' HB2' ' CE2' ' A' ' 675' ' ' TYR . 19.9 tp -70.49 154.21 42.12 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.185 -0.947 . . . . 0.0 110.426 -179.553 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 699' ' ' GLN . . . . . 0.417 ' N ' ' HG ' ' A' ' 698' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.351 -0.843 . . . . 0.0 110.283 -179.91 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 656' ' ' TRP . . . . . 0.405 ' CH2' ' OE1' ' A' ' 688' ' ' GLU . 55.3 t90 . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 121.253 0.549 . . . . 0.0 109.939 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -107.5 142.77 36.85 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.26 -0.9 . . . . 0.0 110.456 -179.671 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 658' ' ' VAL . . . . . 0.4 ' O ' ' HB2' ' A' ' 659' ' ' ASN . 8.5 p -79.19 154.02 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.248 -0.908 . . . . 0.0 110.246 179.937 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 659' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 658' ' ' VAL . 3.2 m120 55.78 55.39 7.13 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.238 -0.914 . . . . 0.0 109.779 -179.75 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 21.9 m -139.92 154.55 47.27 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.311 -0.868 . . . . 0.0 110.332 -179.475 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -97.85 122.81 41.41 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.32 -0.862 . . . . 0.0 110.164 179.861 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -112.68 167.78 10.2 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.328 -0.857 . . . . 0.0 110.22 179.865 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.92 -172.7 2.13 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.359 -0.838 . . . . 0.0 110.114 179.828 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 664' ' ' ALA . . . . . 0.409 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -81.4 151.07 28.09 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.208 -0.933 . . . . 0.0 110.572 -179.526 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 665' ' ' GLY . . . . . 0.421 ' CA ' ' O ' ' A' ' 677' ' ' CYS . . . 55.3 34.92 59.65 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 179.878 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 666' ' ' GLN . . . . . 0.475 ' HB2' ' CB ' ' A' ' 677' ' ' CYS . 0.0 OUTLIER -85.4 175.19 9.01 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.294 -1.121 . . . . 0.0 110.308 179.923 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 667' ' ' LEU . . . . . 0.497 ' CD1' ' C ' ' A' ' 667' ' ' LEU . 3.0 tm? -130.52 117.56 19.79 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.266 -0.896 . . . . 0.0 110.34 -179.828 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 668' ' ' VAL . . . . . 0.412 ' CG2' ' HB2' ' A' ' 675' ' ' TYR . 3.2 m -129.98 177.47 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.223 -0.923 . . . . 0.0 110.214 179.947 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.493 1.713 0 O-C-N 121.166 -0.959 . . . . 0.0 109.985 179.769 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 674' ' ' THR . . . . . . . . . . . . . 12.0 m . . . . . 0 N--CA 1.489 1.518 0 CA-C-O 121.195 0.521 . . . . 0.0 109.682 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 675' ' ' TYR . . . . . 0.414 ' CZ ' HD12 ' A' ' 698' ' ' LEU . 19.7 m-85 -125.08 170.98 10.65 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.213 -0.93 . . . . 0.0 110.599 -179.475 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . 0.464 ' HA ' ' O ' ' A' ' 666' ' ' GLN . 0.3 OUTLIER -140.37 103.4 4.56 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.372 -0.83 . . . . 0.0 110.014 -179.802 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . 0.475 ' CB ' ' HB2' ' A' ' 666' ' ' GLN . 0.1 OUTLIER -52.08 148.08 6.63 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.224 -0.922 . . . . 0.0 110.258 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.457 ' O ' ' HG3' ' A' ' 679' ' ' GLN . 0.8 OUTLIER -119.65 -8.19 9.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.24 -0.913 . . . . 0.0 110.097 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 679' ' ' GLN . . . . . 0.457 ' HG3' ' O ' ' A' ' 678' ' ' LEU . 0.1 OUTLIER -160.0 154.53 20.47 Favored Pre-proline 0 N--CA 1.49 1.552 0 O-C-N 121.187 -0.945 . . . . 0.0 110.464 179.93 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 680' ' ' PRO . . . . . 0.546 ' O ' ' CG ' ' A' ' 681' ' ' HIS . 3.2 Cg_exo -60.63 116.21 3.19 Favored 'Trans proline' 0 C--N 1.312 -1.38 0 O-C-N 123.825 1.434 . . . . 0.0 110.981 -179.932 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 681' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 680' ' ' PRO . 51.0 m-70 -156.93 177.05 11.95 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.215 -0.928 . . . . 0.0 110.398 179.711 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 682' ' ' THR . . . . . 0.428 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 22.7 m -116.26 121.49 42.16 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.232 -0.918 . . . . 0.0 110.593 -179.591 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 1.4 m -79.38 143.34 35.18 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.222 -0.924 . . . . 0.0 110.036 179.769 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . 0.467 ' O ' HD22 ' A' ' 684' ' ' LEU . 0.5 OUTLIER -149.24 -177.47 5.85 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.263 -0.898 . . . . 0.0 110.507 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -60.25 85.63 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.331 -0.856 . . . . 0.0 110.167 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 686' ' ' GLY . . . . . 0.426 ' O ' ' HD2' ' A' ' 689' ' ' PRO . . . 158.81 -36.51 0.5 Allowed Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.764 -1.334 . . . . 0.0 109.764 179.899 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 687' ' ' TRP . . . . . 0.428 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 34.3 m0 -85.75 31.88 0.6 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.147 -1.208 . . . . 0.0 110.671 -179.696 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 688' ' ' GLU . . . . . 0.598 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 0.6 OUTLIER -87.55 -48.01 0.47 Allowed Pre-proline 0 N--CA 1.494 1.748 0 O-C-N 121.052 -1.03 . . . . 0.0 110.477 179.976 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 689' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.9 Cg_endo -69.97 -5.6 16.73 Favored 'Trans proline' 0 C--N 1.314 -1.288 0 O-C-N 123.264 1.139 . . . . 0.0 110.239 179.756 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 690' ' ' SER . . . . . 0.5 ' OG ' ' O ' ' A' ' 690' ' ' SER . 1.5 p 68.22 61.04 0.4 Allowed 'General case' 0 N--CA 1.495 1.786 0 CA-C-O 121.671 0.748 . . . . 0.0 110.219 -179.775 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -81.79 0.35 39.62 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.045 -1.034 . . . . 0.0 110.714 -179.861 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 692' ' ' VAL . . . . . 0.531 ' CG2' HD12 ' A' ' 695' ' ' LEU . 6.6 m -128.97 83.07 67.35 Favored Pre-proline 0 N--CA 1.493 1.7 0 O-C-N 121.04 -1.037 . . . . 0.0 110.426 -179.66 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -59.48 -26.26 81.39 Favored 'Trans proline' 0 C--N 1.31 -1.468 0 O-C-N 123.736 1.387 . . . . 0.0 110.681 -179.869 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -50.81 -40.04 54.56 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.306 -0.871 . . . . 0.0 110.444 -179.838 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 695' ' ' LEU . . . . . 0.608 HD13 ' CG ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -120.57 -11.79 9.02 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.098 -1.001 . . . . 0.0 110.886 -179.691 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 696' ' ' TRP . . . . . 0.608 ' CG ' HD13 ' A' ' 695' ' ' LEU . 0.3 OUTLIER -110.11 109.0 19.37 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.973 -1.079 . . . . 0.0 110.058 179.407 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 697' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' A' ' 698' ' ' LEU . 6.8 tp60 -100.02 156.81 16.96 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.263 -0.898 . . . . 0.0 109.752 179.809 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . 0.475 ' O ' ' HG2' ' A' ' 699' ' ' GLN . 19.1 tp -128.33 153.62 46.83 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.081 -1.012 . . . . 0.0 110.325 -179.756 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 699' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 698' ' ' LEU . 19.2 mt-30 . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.478 -0.764 . . . . 0.0 110.275 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 656' ' ' TRP . . . . . 0.557 ' CZ3' HG13 ' A' ' 658' ' ' VAL . 91.6 t90 . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.239 0.542 . . . . 0.0 110.221 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -139.61 140.2 36.93 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.181 -0.949 . . . . 0.0 110.242 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 658' ' ' VAL . . . . . 0.557 HG13 ' CZ3' ' A' ' 656' ' ' TRP . 24.7 m -70.79 164.55 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.296 -0.878 . . . . 0.0 110.056 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 659' ' ' ASN . . . . . 0.407 ' O ' ' CG ' ' A' ' 659' ' ' ASN . 21.1 t30 48.99 45.12 22.87 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.291 -0.881 . . . . 0.0 109.707 -179.741 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 23.0 m -138.91 122.51 17.4 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.37 -0.831 . . . . 0.0 110.321 -179.796 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . 0.47 ' HA ' ' HA ' ' A' ' 682' ' ' THR . . . -75.31 137.01 40.86 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.273 -0.892 . . . . 0.0 110.203 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 662' ' ' TYR . . . . . 0.466 ' O ' ' HA ' ' A' ' 680' ' ' PRO . 16.3 m-85 -121.96 162.93 20.2 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.245 -0.909 . . . . 0.0 110.199 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 663' ' ' THR . . . . . 0.445 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 12.1 p -107.04 -171.21 1.84 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.164 -0.96 . . . . 0.0 110.264 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 664' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 678' ' ' LEU . . . -83.22 157.14 22.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.192 -0.943 . . . . 0.0 110.192 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 665' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 55.4 22.39 30.63 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 179.917 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 666' ' ' GLN . . . . . 0.449 ' HB3' ' CB ' ' A' ' 677' ' ' CYS . 9.8 tp-100 -79.39 171.12 15.6 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.182 -1.187 . . . . 0.0 110.085 179.895 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.17 126.41 40.99 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.219 -0.926 . . . . 0.0 110.392 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 668' ' ' VAL . . . . . . . . . . . . . 2.2 m -139.29 163.3 26.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.27 -0.893 . . . . 0.0 109.913 179.902 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 669' ' ' THR . . . . . 0.432 HG21 ' HA ' ' A' ' 674' ' ' THR . 3.1 p . . . . . 0 N--CA 1.49 1.561 0 O-C-N 121.119 -0.988 . . . . 0.0 110.072 179.525 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 674' ' ' THR . . . . . 0.432 ' HA ' HG21 ' A' ' 669' ' ' THR . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 675' ' ' TYR . . . . . 0.484 ' HA ' ' HA ' ' A' ' 698' ' ' LEU . 16.9 m-85 -145.29 157.42 44.06 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.957 -1.089 . . . . 0.0 111.064 -179.511 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . 0.457 ' HD3' ' NE2' ' A' ' 699' ' ' GLN . 0.0 OUTLIER -140.33 118.9 12.29 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.531 -0.731 . . . . 0.0 109.777 179.885 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . 0.479 ' O ' ' N ' ' A' ' 665' ' ' GLY . 0.6 OUTLIER -70.7 144.04 51.13 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.182 -0.949 . . . . 0.0 110.543 -179.616 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.461 ' O ' ' HB3' ' A' ' 664' ' ' ALA . 4.3 mp -108.66 -31.06 7.9 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.167 -0.958 . . . . 0.0 110.06 179.758 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 679' ' ' GLN . . . . . 0.418 ' HB3' ' NE2' ' A' ' 681' ' ' HIS . 0.0 OUTLIER -129.65 142.44 45.3 Favored Pre-proline 0 N--CA 1.492 1.659 0 O-C-N 121.259 -0.9 . . . . 0.0 110.191 -179.997 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 680' ' ' PRO . . . . . 0.524 ' O ' ' ND1' ' A' ' 681' ' ' HIS . 3.1 Cg_exo -60.88 107.39 0.44 Allowed 'Trans proline' 0 C--N 1.313 -1.294 0 O-C-N 123.46 1.242 . . . . 0.0 110.968 -179.905 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 681' ' ' HIS . . . . . 0.524 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 9.1 m-70 -139.1 -158.27 0.84 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.229 -0.919 . . . . 0.0 110.04 179.664 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 682' ' ' THR . . . . . 0.47 ' HA ' ' HA ' ' A' ' 661' ' ' ALA . 6.3 m -124.86 133.99 52.88 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.093 -1.005 . . . . 0.0 110.901 -179.478 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 683' ' ' SER . . . . . 0.499 ' OG ' ' NE1' ' A' ' 656' ' ' TRP . 0.5 OUTLIER -90.48 140.36 29.81 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.318 -0.864 . . . . 0.0 109.649 179.368 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . 0.563 ' CD2' ' N ' ' A' ' 684' ' ' LEU . 0.8 OUTLIER -155.93 179.31 9.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.258 -0.901 . . . . 0.0 110.67 -179.837 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -65.33 71.59 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.399 -0.813 . . . . 0.0 109.998 179.889 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 686' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . -178.2 -33.49 0.05 OUTLIER Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.199 -1.56 . . . . 0.0 109.199 -179.868 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 687' ' ' TRP . . . . . 0.429 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 38.0 m0 -88.53 37.29 0.82 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.286 -1.126 . . . . 0.0 109.97 179.767 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 688' ' ' GLU . . . . . 0.587 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 2.1 mt-10 -90.27 -47.92 0.38 Allowed Pre-proline 0 N--CA 1.495 1.798 0 O-C-N 121.37 -0.831 . . . . 0.0 110.951 -179.49 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 689' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.6 Cg_endo -70.01 -3.51 12.33 Favored 'Trans proline' 0 C--N 1.315 -1.198 0 O-C-N 123.199 1.105 . . . . 0.0 110.201 -179.908 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 690' ' ' SER . . . . . 0.455 ' OG ' ' O ' ' A' ' 689' ' ' PRO . 5.0 p 56.25 46.43 21.26 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.28 -0.888 . . . . 0.0 109.654 -179.223 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 691' ' ' ASN . . . . . 0.465 ' OD1' HG11 ' A' ' 692' ' ' VAL . 8.9 p30 -79.72 10.86 3.6 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.246 -0.909 . . . . 0.0 110.728 -179.754 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 692' ' ' VAL . . . . . 0.47 HG23 ' CD1' ' A' ' 695' ' ' LEU . 11.9 m -130.66 80.25 70.35 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.125 -0.984 . . . . 0.0 110.086 179.741 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -60.85 -19.72 63.25 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.773 1.407 . . . . 0.0 110.648 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -54.93 -28.89 54.51 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.217 -0.927 . . . . 0.0 110.275 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 695' ' ' LEU . . . . . 0.583 HD12 ' CG ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -136.12 -4.5 2.16 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.172 -0.955 . . . . 0.0 111.007 -179.69 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 696' ' ' TRP . . . . . 0.583 ' CG ' HD12 ' A' ' 695' ' ' LEU . 0.7 OUTLIER -120.4 120.97 37.5 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.928 -1.108 . . . . 0.0 110.854 -179.976 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 697' ' ' GLN . . . . . 0.517 ' HG2' ' N ' ' A' ' 698' ' ' LEU . 29.0 tt0 -116.43 157.83 24.5 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.396 -0.815 . . . . 0.0 109.179 179.196 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . 0.517 ' N ' ' HG2' ' A' ' 697' ' ' GLN . 1.0 OUTLIER -140.57 164.84 29.08 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.909 -1.119 . . . . 0.0 110.61 -179.973 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 699' ' ' GLN . . . . . 0.457 ' NE2' ' HD3' ' A' ' 676' ' ' LYS . 1.0 OUTLIER . . . . . 0 N--CA 1.493 1.704 0 O-C-N 121.496 -0.752 . . . . 0.0 110.054 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 656' ' ' TRP . . . . . 0.463 ' CZ2' ' HB2' ' A' ' 683' ' ' SER . 89.5 t90 . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.18 0.514 . . . . 0.0 109.859 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -137.13 153.27 50.54 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.132 -0.98 . . . . 0.0 110.443 -179.836 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 658' ' ' VAL . . . . . 0.41 HG13 ' C ' ' A' ' 684' ' ' LEU . 18.4 t -78.17 154.94 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.297 -0.877 . . . . 0.0 110.029 179.771 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 57.93 53.36 6.95 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.22 -0.925 . . . . 0.0 110.124 -179.785 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 660' ' ' THR . . . . . 0.514 HG22 ' CZ ' ' A' ' 662' ' ' TYR . 16.5 m -140.19 131.48 26.66 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.306 -0.871 . . . . 0.0 110.296 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -77.58 124.52 28.03 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.274 -0.891 . . . . 0.0 110.239 179.941 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 662' ' ' TYR . . . . . 0.514 ' CZ ' HG22 ' A' ' 660' ' ' THR . 9.8 m-85 -114.97 163.16 15.98 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.288 -0.882 . . . . 0.0 110.228 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 663' ' ' THR . . . . . 0.418 ' O ' ' HB3' ' A' ' 677' ' ' CYS . 0.0 OUTLIER -109.69 -172.47 2.05 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.24 -0.912 . . . . 0.0 110.027 179.905 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 664' ' ' ALA . . . . . 0.419 ' HB1' ' HA ' ' A' ' 679' ' ' GLN . . . -83.49 160.24 21.55 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.157 -0.964 . . . . 0.0 110.444 -179.667 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 665' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 50.67 28.55 16.05 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.69 -1.364 . . . . 0.0 109.69 179.888 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -84.01 176.03 9.12 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.222 -1.163 . . . . 0.0 110.038 179.893 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 667' ' ' LEU . . . . . 0.447 HD13 ' O ' ' A' ' 675' ' ' TYR . 0.2 OUTLIER -136.74 111.14 8.51 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.195 -0.94 . . . . 0.0 110.74 -179.746 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 668' ' ' VAL . . . . . 0.416 ' O ' HG21 ' A' ' 669' ' ' THR . 2.4 m -120.33 173.71 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.315 -0.866 . . . . 0.0 109.343 179.537 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 669' ' ' THR . . . . . 0.416 HG21 ' O ' ' A' ' 668' ' ' VAL . 2.8 p . . . . . 0 N--CA 1.493 1.71 0 O-C-N 120.811 -1.181 . . . . 0.0 110.183 179.663 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 674' ' ' THR . . . . . 0.463 ' O ' ' HB2' ' A' ' 698' ' ' LEU . 26.2 m . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 675' ' ' TYR . . . . . 0.573 ' CE2' HD22 ' A' ' 698' ' ' LEU . 8.1 m-85 -119.65 159.72 23.89 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.151 -0.968 . . . . 0.0 111.576 -178.822 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . 0.461 ' HB3' ' O ' ' A' ' 697' ' ' GLN . 1.5 tmtt? -139.69 113.93 9.0 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.468 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 665' ' ' GLY . 0.0 OUTLIER -64.45 144.63 57.04 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.216 -0.928 . . . . 0.0 110.604 -179.447 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 2.9 tt -112.29 -17.03 12.84 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.357 -0.839 . . . . 0.0 109.932 179.889 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 679' ' ' GLN . . . . . 0.515 ' HB3' ' NE2' ' A' ' 681' ' ' HIS . 0.7 OUTLIER -145.6 149.17 39.37 Favored Pre-proline 0 N--CA 1.489 1.501 0 O-C-N 121.24 -0.912 . . . . 0.0 110.33 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 680' ' ' PRO . . . . . 0.543 ' O ' ' ND1' ' A' ' 681' ' ' HIS . 3.2 Cg_exo -60.82 114.08 2.0 Allowed 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.752 1.396 . . . . 0.0 111.162 -179.889 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 681' ' ' HIS . . . . . 0.543 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 40.8 m-70 -149.02 -160.64 1.2 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.303 -0.873 . . . . 0.0 110.15 179.343 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 682' ' ' THR . . . . . 0.462 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 17.4 m -138.01 123.74 19.88 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.188 -0.945 . . . . 0.0 110.39 -179.775 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 683' ' ' SER . . . . . 0.463 ' HB2' ' CZ2' ' A' ' 656' ' ' TRP . 83.7 p -71.05 141.83 50.89 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.269 -0.895 . . . . 0.0 110.034 179.847 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . 0.552 HD21 ' CD1' ' A' ' 687' ' ' TRP . 1.0 OUTLIER -141.12 175.63 9.48 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.317 -0.864 . . . . 0.0 110.188 179.897 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -66.86 79.92 0.11 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.191 -0.943 . . . . 0.0 110.053 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 686' ' ' GLY . . . . . 0.418 ' O ' ' HD2' ' A' ' 689' ' ' PRO . . . 162.92 -23.05 0.19 Allowed Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 -179.904 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 687' ' ' TRP . . . . . 0.552 ' CD1' HD21 ' A' ' 684' ' ' LEU . 16.8 m0 -86.67 32.83 0.65 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.146 -1.208 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 688' ' ' GLU . . . . . 0.597 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 2.2 mt-10 -88.55 -47.17 0.44 Allowed Pre-proline 0 N--CA 1.495 1.821 0 O-C-N 121.196 -0.94 . . . . 0.0 110.659 -179.795 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 689' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.7 Cg_endo -70.56 -2.96 11.59 Favored 'Trans proline' 0 C--N 1.315 -1.206 0 O-C-N 123.2 1.105 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 690' ' ' SER . . . . . 0.492 ' OG ' ' O ' ' A' ' 690' ' ' SER . 1.7 p 64.82 59.11 0.92 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.43 -0.794 . . . . 0.0 110.031 -179.622 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -79.5 5.89 11.75 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.164 -0.96 . . . . 0.0 110.419 -179.807 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 692' ' ' VAL . . . . . 0.521 ' CG2' HD11 ' A' ' 695' ' ' LEU . 17.6 m -135.91 76.76 51.97 Favored Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.149 -0.969 . . . . 0.0 110.161 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -60.47 -16.9 44.87 Favored 'Trans proline' 0 C--N 1.312 -1.382 0 O-C-N 123.631 1.332 . . . . 0.0 110.41 -179.91 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -59.36 -41.65 89.77 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.197 -0.939 . . . . 0.0 110.084 179.918 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 695' ' ' LEU . . . . . 0.592 HD12 ' CG ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -114.09 -15.31 12.28 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.268 -0.895 . . . . 0.0 110.268 -179.895 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 696' ' ' TRP . . . . . 0.592 ' CG ' HD12 ' A' ' 695' ' ' LEU . 0.1 OUTLIER -104.99 92.07 4.07 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.181 -0.95 . . . . 0.0 110.018 179.723 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 697' ' ' GLN . . . . . 0.461 ' O ' ' HB3' ' A' ' 676' ' ' LYS . 1.1 tt0 -106.7 102.35 11.73 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.137 -0.977 . . . . 0.0 109.904 179.876 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . 0.573 HD22 ' CE2' ' A' ' 675' ' ' TYR . 0.7 OUTLIER -97.22 -163.82 1.08 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.233 -0.917 . . . . 0.0 110.522 -179.618 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 699' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.373 -0.83 . . . . 0.0 110.05 -179.915 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 656' ' ' TRP . . . . . 0.578 ' CZ2' ' HB3' ' A' ' 683' ' ' SER . 91.1 t90 . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.24 0.543 . . . . 0.0 110.253 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -130.73 149.11 52.53 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.283 -0.886 . . . . 0.0 110.146 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 658' ' ' VAL . . . . . 0.42 ' O ' ' HB2' ' A' ' 659' ' ' ASN . 4.0 p -72.79 153.35 7.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.219 -0.926 . . . . 0.0 110.158 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 659' ' ' ASN . . . . . 0.42 ' HB2' ' O ' ' A' ' 658' ' ' VAL . 1.3 m-80 59.19 47.97 10.99 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.28 -0.887 . . . . 0.0 109.949 -179.809 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 96.1 m -132.15 147.1 52.41 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.238 -0.914 . . . . 0.0 110.312 -179.856 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -96.52 127.18 42.27 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.324 -0.86 . . . . 0.0 110.215 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 662' ' ' TYR . . . . . 0.414 ' O ' ' HA ' ' A' ' 680' ' ' PRO . 15.4 m-85 -118.94 150.82 39.26 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.165 -0.96 . . . . 0.0 110.237 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 66.2 p -99.72 178.52 4.81 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.294 -0.879 . . . . 0.0 110.092 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 664' ' ' ALA . . . . . 0.456 ' HB1' ' O ' ' A' ' 678' ' ' LEU . . . -75.85 143.11 41.98 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.212 -0.93 . . . . 0.0 110.109 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 665' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 76.49 20.0 77.37 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 179.939 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -84.51 174.07 10.32 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.267 -1.137 . . . . 0.0 110.106 179.914 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -138.43 99.19 3.77 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.032 -1.043 . . . . 0.0 110.704 -179.694 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 668' ' ' VAL . . . . . 0.579 HG21 ' CH2' ' A' ' 696' ' ' TRP . 2.7 m -102.97 170.05 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.201 -0.937 . . . . 0.0 109.674 179.253 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 9.5 p . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.069 -1.019 . . . . 0.0 110.246 179.986 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 674' ' ' THR . . . . . . . . . . . . . 11.8 m . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 675' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 698' ' ' LEU . 25.3 m-85 -130.33 159.21 37.65 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.075 -1.015 . . . . 0.0 110.833 -179.532 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' A' ' 697' ' ' GLN . 8.9 ptmt -140.37 138.82 35.12 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.38 -0.825 . . . . 0.0 109.978 179.929 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 665' ' ' GLY . 1.8 t -89.5 137.87 31.95 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.318 -0.864 . . . . 0.0 110.213 -179.843 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.456 ' O ' ' HB1' ' A' ' 664' ' ' ALA . 0.1 OUTLIER -107.37 -13.3 15.14 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.263 -0.898 . . . . 0.0 110.155 179.899 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 679' ' ' GLN . . . . . 0.45 ' HB2' ' CD2' ' A' ' 681' ' ' HIS . 37.3 mt-30 -142.21 141.26 20.85 Favored Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.289 -0.882 . . . . 0.0 109.872 179.794 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 680' ' ' PRO . . . . . 0.503 ' O ' ' ND1' ' A' ' 681' ' ' HIS . 3.1 Cg_exo -59.8 108.93 0.52 Allowed 'Trans proline' 0 C--N 1.313 -1.337 0 O-C-N 123.547 1.288 . . . . 0.0 110.698 179.898 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 681' ' ' HIS . . . . . 0.503 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 56.2 m-70 -146.93 -172.71 4.05 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.421 -0.8 . . . . 0.0 109.95 179.766 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 682' ' ' THR . . . . . 0.482 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 82.0 m -117.46 129.01 55.56 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.11 -0.994 . . . . 0.0 110.688 -179.762 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 683' ' ' SER . . . . . 0.578 ' HB3' ' CZ2' ' A' ' 656' ' ' TRP . 43.3 m -87.15 142.1 28.16 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.357 -0.84 . . . . 0.0 109.791 179.645 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 686' ' ' GLY . 0.7 OUTLIER -149.02 -178.7 6.52 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.204 -0.935 . . . . 0.0 110.696 -179.798 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -63.98 70.48 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.376 -0.828 . . . . 0.0 110.062 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 686' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . -177.31 -37.3 0.06 OUTLIER Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.1 -1.6 . . . . 0.0 109.1 -179.915 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 687' ' ' TRP . . . . . 0.482 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 41.5 m0 -87.24 32.98 0.68 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.292 -1.122 . . . . 0.0 110.129 179.798 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 688' ' ' GLU . . . . . 0.606 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 2.9 mt-10 -87.62 -47.19 0.48 Allowed Pre-proline 0 N--CA 1.494 1.759 0 O-C-N 121.259 -0.901 . . . . 0.0 110.613 -179.886 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 689' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.5 Cg_endo -69.94 -4.27 13.81 Favored 'Trans proline' 0 C--N 1.315 -1.219 0 O-C-N 123.229 1.12 . . . . 0.0 109.961 179.616 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 690' ' ' SER . . . . . 0.457 ' OG ' ' O ' ' A' ' 689' ' ' PRO . 3.5 p 60.26 47.85 8.72 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.385 -0.822 . . . . 0.0 110.005 -179.477 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 691' ' ' ASN . . . . . 0.442 ' OD1' HG13 ' A' ' 692' ' ' VAL . 7.3 p30 -79.31 1.54 24.66 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.215 -0.928 . . . . 0.0 109.951 179.924 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 692' ' ' VAL . . . . . 0.452 HG22 ' O ' ' A' ' 692' ' ' VAL . 20.3 m -123.3 71.43 45.71 Favored Pre-proline 0 N--CA 1.49 1.546 0 O-C-N 121.362 -0.836 . . . . 0.0 109.752 179.741 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -57.72 -13.83 15.58 Favored 'Trans proline' 0 C--N 1.311 -1.396 0 O-C-N 123.75 1.395 . . . . 0.0 110.857 -179.622 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -54.34 -34.13 60.43 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.158 -0.964 . . . . 0.0 109.962 179.792 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 695' ' ' LEU . . . . . 0.592 HD13 ' CG ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -129.64 -7.48 4.6 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.197 -0.94 . . . . 0.0 110.532 -179.933 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 696' ' ' TRP . . . . . 0.592 ' CG ' HD13 ' A' ' 695' ' ' LEU . 1.7 m95 -111.28 95.4 5.5 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.105 -0.997 . . . . 0.0 110.362 179.718 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 697' ' ' GLN . . . . . 0.477 ' O ' ' HG2' ' A' ' 676' ' ' LYS . 0.1 OUTLIER -101.98 111.47 23.76 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.24 -0.912 . . . . 0.0 109.882 179.731 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . 0.562 ' HB3' ' CE2' ' A' ' 675' ' ' TYR . 0.9 OUTLIER -88.07 -175.77 5.19 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.023 -1.048 . . . . 0.0 110.69 -179.515 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 699' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.45 -0.781 . . . . 0.0 110.271 -179.977 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 656' ' ' TRP . . . . . 0.557 ' CH2' HG23 ' A' ' 658' ' ' VAL . 61.1 t90 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.368 0.604 . . . . 0.0 110.351 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -134.14 145.87 49.69 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.261 -0.899 . . . . 0.0 110.025 179.916 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 658' ' ' VAL . . . . . 0.557 HG23 ' CH2' ' A' ' 656' ' ' TRP . 10.9 t -77.51 145.91 9.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.178 -0.951 . . . . 0.0 110.364 -179.916 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 659' ' ' ASN . . . . . 0.419 ' CB ' ' O ' ' A' ' 658' ' ' VAL . 0.7 OUTLIER 64.18 59.03 1.09 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.163 -0.96 . . . . 0.0 110.189 -179.979 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 5.3 m -139.17 164.86 28.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.191 -0.943 . . . . 0.0 110.45 -179.902 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -108.2 120.51 42.56 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.325 -0.859 . . . . 0.0 110.144 -179.953 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -117.86 147.51 43.01 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.206 -0.934 . . . . 0.0 110.091 179.919 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 663' ' ' THR . . . . . 0.476 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 59.3 p -99.68 171.43 7.91 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.231 -0.918 . . . . 0.0 109.942 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 664' ' ' ALA . . . . . 0.452 ' HB3' ' HD3' ' A' ' 680' ' ' PRO . . . -65.95 138.32 57.75 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.171 -0.956 . . . . 0.0 109.944 179.893 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 665' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 81.16 27.4 49.31 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.275 -1.53 . . . . 0.0 109.275 -179.618 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 666' ' ' GLN . . . . . 0.453 ' HB3' ' HB2' ' A' ' 677' ' ' CYS . 5.3 tp-100 -87.17 173.02 9.48 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.29 -1.123 . . . . 0.0 110.082 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 667' ' ' LEU . . . . . 0.423 HD13 ' O ' ' A' ' 675' ' ' TYR . 0.2 OUTLIER -137.39 102.12 4.7 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.22 -0.925 . . . . 0.0 110.794 -179.872 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 668' ' ' VAL . . . . . 0.566 HG22 ' CH2' ' A' ' 696' ' ' TRP . 2.5 m -110.31 166.77 5.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.19 -0.944 . . . . 0.0 109.558 179.444 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.59 0 O-C-N 120.959 -1.088 . . . . 0.0 110.435 179.73 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 674' ' ' THR . . . . . . . . . . . . . 33.1 m . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 675' ' ' TYR . . . . . 0.585 ' CE2' ' HB3' ' A' ' 698' ' ' LEU . 22.0 m-85 -131.38 158.98 39.32 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.1 -1.0 . . . . 0.0 111.015 -179.248 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -140.17 138.27 35.05 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.551 -0.718 . . . . 0.0 109.458 179.291 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . 0.521 ' O ' ' N ' ' A' ' 665' ' ' GLY . 0.1 OUTLIER -90.35 140.11 30.02 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.211 -0.931 . . . . 0.0 110.239 -179.883 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.422 ' O ' ' HB1' ' A' ' 664' ' ' ALA . 0.3 OUTLIER -105.97 -9.48 17.06 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.34 -0.85 . . . . 0.0 109.988 179.881 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 679' ' ' GLN . . . . . 0.556 ' HB2' ' CD2' ' A' ' 681' ' ' HIS . 35.9 mt-30 -144.74 144.03 23.18 Favored Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 121.294 -0.879 . . . . 0.0 110.3 179.872 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 680' ' ' PRO . . . . . 0.476 ' HA ' ' HA ' ' A' ' 663' ' ' THR . 3.2 Cg_exo -58.51 94.66 0.07 OUTLIER 'Trans proline' 0 C--N 1.312 -1.344 0 O-C-N 123.57 1.3 . . . . 0.0 110.417 179.568 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 681' ' ' HIS . . . . . 0.556 ' CD2' ' HB2' ' A' ' 679' ' ' GLN . 22.3 m-70 -133.03 163.57 28.93 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.357 -0.839 . . . . 0.0 110.116 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 9.6 m -102.33 126.8 49.46 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.275 -0.89 . . . . 0.0 110.516 -179.824 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 60.4 p -75.31 145.31 41.9 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.379 -0.825 . . . . 0.0 110.04 179.71 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . 0.474 HD23 ' O ' ' A' ' 684' ' ' LEU . 0.7 OUTLIER -141.7 -179.2 6.04 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.12 -0.988 . . . . 0.0 110.647 -179.964 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -69.01 76.15 0.32 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.378 -0.826 . . . . 0.0 109.835 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 686' ' ' GLY . . . . . . . . . . . . . . . 170.27 -25.1 0.1 OUTLIER Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.839 -1.305 . . . . 0.0 109.839 -179.869 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 687' ' ' TRP . . . . . 0.473 ' CD1' HD22 ' A' ' 684' ' ' LEU . 32.3 m0 -86.92 36.46 0.72 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.009 -1.289 . . . . 0.0 110.21 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 688' ' ' GLU . . . . . 0.588 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 2.0 mt-10 -89.54 -48.3 0.4 Allowed Pre-proline 0 N--CA 1.496 1.859 0 O-C-N 121.25 -0.906 . . . . 0.0 110.693 -179.836 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 689' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.6 Cg_endo -70.28 -4.07 13.64 Favored 'Trans proline' 0 C--N 1.315 -1.2 0 O-C-N 123.253 1.133 . . . . 0.0 110.138 179.87 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 690' ' ' SER . . . . . 0.456 ' OG ' ' O ' ' A' ' 689' ' ' PRO . 3.5 p 59.01 52.38 6.38 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.326 -0.859 . . . . 0.0 109.796 -179.281 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -79.7 9.22 5.34 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.265 -0.897 . . . . 0.0 110.529 -179.716 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 692' ' ' VAL . . . . . 0.458 HG21 ' HB2' ' A' ' 696' ' ' TRP . 9.9 m -131.76 78.71 69.84 Favored Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.263 -0.898 . . . . 0.0 109.887 179.657 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.16 -18.04 55.96 Favored 'Trans proline' 0 C--N 1.313 -1.337 0 O-C-N 123.768 1.404 . . . . 0.0 110.879 -179.771 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -57.82 -33.66 68.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.19 -0.944 . . . . 0.0 110.166 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 695' ' ' LEU . . . . . 0.587 HD12 ' CG ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -129.76 -10.67 4.42 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.247 -0.908 . . . . 0.0 110.751 -179.645 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 696' ' ' TRP . . . . . 0.587 ' CG ' HD12 ' A' ' 695' ' ' LEU . 0.5 OUTLIER -115.51 96.7 5.76 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.246 -0.909 . . . . 0.0 110.51 -179.759 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -101.48 164.03 11.97 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.371 -0.831 . . . . 0.0 109.515 179.37 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . 0.585 ' HB3' ' CE2' ' A' ' 675' ' ' TYR . 0.8 OUTLIER -154.73 -176.09 5.74 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.924 -1.11 . . . . 0.0 110.58 -179.94 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 699' ' ' GLN . . . . . 0.401 ' N ' HD11 ' A' ' 698' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.612 0 O-C-N 121.296 -0.877 . . . . 0.0 110.207 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 656' ' ' TRP . . . . . 0.556 ' CZ3' HG12 ' A' ' 658' ' ' VAL . 80.8 t90 . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.116 0.484 . . . . 0.0 110.107 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -117.37 122.91 45.15 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.247 -0.908 . . . . 0.0 110.377 -179.833 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 658' ' ' VAL . . . . . 0.556 HG12 ' CZ3' ' A' ' 656' ' ' TRP . 5.4 m -55.48 143.66 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.154 -0.966 . . . . 0.0 110.061 179.822 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 659' ' ' ASN . . . . . 0.516 ' CB ' ' O ' ' A' ' 658' ' ' VAL . 1.2 t30 70.28 51.93 0.37 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.308 -0.87 . . . . 0.0 109.762 -179.748 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 86.7 m -138.93 137.71 36.69 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.324 -0.86 . . . . 0.0 110.301 -179.846 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -81.26 133.12 35.39 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.251 -0.906 . . . . 0.0 109.914 179.796 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 662' ' ' TYR . . . . . 0.456 ' CD2' ' HB3' ' A' ' 683' ' ' SER . 24.3 m-85 -120.33 150.53 40.59 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.17 -0.956 . . . . 0.0 110.413 -179.843 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 663' ' ' THR . . . . . 0.443 ' O ' ' HB2' ' A' ' 666' ' ' GLN . 0.1 OUTLIER -103.05 164.43 11.62 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.309 -0.869 . . . . 0.0 109.801 179.744 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 664' ' ' ALA . . . . . 0.454 ' HB2' ' HA ' ' A' ' 679' ' ' GLN . . . -64.68 124.02 20.84 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.173 -0.955 . . . . 0.0 110.433 -179.813 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 665' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 92.48 26.05 19.1 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 179.893 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 666' ' ' GLN . . . . . 0.513 ' CB ' ' HB3' ' A' ' 677' ' ' CYS . 0.5 OUTLIER -90.72 176.34 6.69 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.218 -1.166 . . . . 0.0 110.206 179.952 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 667' ' ' LEU . . . . . 0.516 HD23 ' N ' ' A' ' 668' ' ' VAL . 0.7 OUTLIER -134.27 132.77 40.03 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.167 -0.958 . . . . 0.0 110.475 -179.863 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 668' ' ' VAL . . . . . 0.516 ' N ' HD23 ' A' ' 667' ' ' LEU . 3.0 m -137.37 158.96 35.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.329 -0.857 . . . . 0.0 109.791 179.77 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 669' ' ' THR . . . . . 0.402 HG23 ' O ' ' A' ' 668' ' ' VAL . 11.5 p . . . . . 0 N--CA 1.494 1.744 0 O-C-N 121.076 -1.015 . . . . 0.0 110.343 179.918 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 674' ' ' THR . . . . . 0.439 ' O ' HD13 ' A' ' 698' ' ' LEU . 41.1 m . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 121.228 0.537 . . . . 0.0 110.012 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 675' ' ' TYR . . . . . 0.535 ' CD2' ' HB2' ' A' ' 698' ' ' LEU . 94.9 m-85 -125.04 177.19 6.2 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.088 -1.007 . . . . 0.0 110.687 -179.697 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 697' ' ' GLN . 4.6 mptt -140.16 104.73 4.89 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.335 -0.853 . . . . 0.0 110.278 -179.917 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . 0.513 ' HB3' ' CB ' ' A' ' 666' ' ' GLN . 37.9 t -55.34 139.72 41.98 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.165 -0.959 . . . . 0.0 109.938 179.804 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 1.1 tt -117.59 -19.59 9.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.306 -0.871 . . . . 0.0 110.42 -179.668 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 679' ' ' GLN . . . . . 0.454 ' HA ' ' HB2' ' A' ' 664' ' ' ALA . 1.9 mm100 -135.0 144.85 52.05 Favored Pre-proline 0 N--CA 1.489 1.496 0 O-C-N 121.182 -0.948 . . . . 0.0 110.35 -179.897 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 680' ' ' PRO . . . . . 0.514 ' O ' ' ND1' ' A' ' 681' ' ' HIS . 3.0 Cg_exo -59.78 103.89 0.21 Allowed 'Trans proline' 0 C--N 1.312 -1.355 0 O-C-N 123.573 1.302 . . . . 0.0 110.462 179.861 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 681' ' ' HIS . . . . . 0.514 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 26.4 m-70 -147.64 170.22 17.99 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.253 -0.904 . . . . 0.0 110.12 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 682' ' ' THR . . . . . 0.434 ' O ' ' CD1' ' A' ' 684' ' ' LEU . 3.0 m -105.96 128.33 53.74 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.252 -0.905 . . . . 0.0 110.301 -179.723 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 683' ' ' SER . . . . . 0.456 ' HB3' ' CD2' ' A' ' 662' ' ' TYR . 0.0 OUTLIER -89.77 142.86 27.29 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.272 -0.892 . . . . 0.0 109.854 179.603 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . 0.627 ' N ' ' CD1' ' A' ' 684' ' ' LEU . 0.0 OUTLIER -153.03 -166.88 2.57 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.195 -0.941 . . . . 0.0 110.773 -179.923 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -62.24 82.53 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.39 -0.819 . . . . 0.0 109.945 179.901 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 686' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 164.81 -38.78 0.29 Allowed Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 -179.84 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 15.7 m0 -87.2 34.44 0.69 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.268 -1.137 . . . . 0.0 110.207 179.867 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 688' ' ' GLU . . . . . 0.574 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 0.8 OUTLIER -90.16 -48.86 0.37 Allowed Pre-proline 0 N--CA 1.494 1.765 0 O-C-N 121.178 -0.951 . . . . 0.0 110.814 -179.629 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 689' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.7 Cg_endo -69.25 -5.09 15.04 Favored 'Trans proline' 0 C--N 1.314 -1.282 0 O-C-N 123.127 1.067 . . . . 0.0 110.257 -179.712 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 690' ' ' SER . . . . . 0.477 ' OG ' ' O ' ' A' ' 690' ' ' SER . 1.5 p 62.45 50.21 3.77 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.362 -0.836 . . . . 0.0 109.714 -179.567 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -85.19 19.39 2.24 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.309 -0.869 . . . . 0.0 110.895 -179.426 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 692' ' ' VAL . . . . . 0.527 ' CG2' HD11 ' A' ' 695' ' ' LEU . 11.0 m -137.37 78.6 38.4 Favored Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.122 -0.986 . . . . 0.0 109.925 179.657 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -60.58 -14.19 29.65 Favored 'Trans proline' 0 C--N 1.312 -1.366 0 O-C-N 123.792 1.417 . . . . 0.0 110.854 -179.635 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -63.41 -39.08 93.54 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.083 -1.011 . . . . 0.0 110.104 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 695' ' ' LEU . . . . . 0.567 ' CD1' ' N ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -116.33 -14.01 11.03 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.251 -0.906 . . . . 0.0 110.129 179.905 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 696' ' ' TRP . . . . . 0.567 ' N ' ' CD1' ' A' ' 695' ' ' LEU . 0.1 OUTLIER -104.98 112.56 25.74 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.237 -0.914 . . . . 0.0 110.275 179.802 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 697' ' ' GLN . . . . . 0.472 ' O ' ' HB2' ' A' ' 676' ' ' LYS . 19.8 tp60 -99.71 86.61 3.35 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.219 -0.926 . . . . 0.0 109.851 179.695 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . 0.535 ' HB2' ' CD2' ' A' ' 675' ' ' TYR . 22.4 tp -66.95 157.84 32.33 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.214 -0.929 . . . . 0.0 110.576 -179.611 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 699' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.381 -0.824 . . . . 0.0 110.233 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 656' ' ' TRP . . . . . 0.448 ' HB2' ' HB ' ' A' ' 668' ' ' VAL . 91.9 t90 . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.246 0.546 . . . . 0.0 110.202 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 657' ' ' GLN . . . . . 0.43 ' HG3' ' C ' ' A' ' 656' ' ' TRP . 37.9 mt-30 -146.53 155.8 42.78 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.31 -0.869 . . . . 0.0 110.114 179.896 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 658' ' ' VAL . . . . . 0.421 ' O ' ' CB ' ' A' ' 659' ' ' ASN . 33.2 m -77.78 152.96 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.173 -0.954 . . . . 0.0 110.113 179.961 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 659' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 658' ' ' VAL . 0.9 OUTLIER 64.47 51.37 2.02 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.168 -0.957 . . . . 0.0 109.956 -179.825 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 16.0 m -134.45 128.11 32.84 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.259 -0.9 . . . . 0.0 110.333 -179.874 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -84.18 110.68 18.71 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.31 -0.869 . . . . 0.0 109.975 179.814 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 662' ' ' TYR . . . . . 0.412 ' O ' ' HA ' ' A' ' 680' ' ' PRO . 18.2 m-85 -99.97 152.67 19.92 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.208 -0.932 . . . . 0.0 110.517 -179.762 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 663' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 21.1 p -106.71 173.45 6.32 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.366 -0.834 . . . . 0.0 109.755 179.532 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 664' ' ' ALA . . . . . . . . . . . . . . . -68.64 130.52 43.07 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.117 -0.989 . . . . 0.0 110.241 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 665' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 86.63 28.08 27.81 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.73 -1.348 . . . . 0.0 109.73 179.748 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 666' ' ' GLN . . . . . 0.439 ' HB2' ' HB3' ' A' ' 677' ' ' CYS . 1.3 tm0? -89.97 -174.17 4.14 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.17 -1.194 . . . . 0.0 109.978 179.845 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 667' ' ' LEU . . . . . 0.459 ' C ' ' CD2' ' A' ' 667' ' ' LEU . 5.0 tt -152.43 130.7 12.02 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.135 -0.978 . . . . 0.0 110.526 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 668' ' ' VAL . . . . . 0.457 HG22 ' HB2' ' A' ' 675' ' ' TYR . 2.6 m -137.13 171.17 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.313 -0.867 . . . . 0.0 109.827 179.733 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 40.3 p . . . . . 0 N--CA 1.49 1.528 0 O-C-N 121.147 -0.97 . . . . 0.0 110.454 179.727 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 674' ' ' THR . . . . . 0.445 ' O ' ' HB2' ' A' ' 698' ' ' LEU . 98.3 m . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 121.144 0.497 . . . . 0.0 110.05 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 675' ' ' TYR . . . . . 0.599 ' CE2' ' HB3' ' A' ' 698' ' ' LEU . 33.0 m-85 -136.28 158.53 44.2 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.263 -0.898 . . . . 0.0 110.606 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 667' ' ' LEU . 0.0 OUTLIER -136.93 131.39 32.97 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.438 -0.789 . . . . 0.0 110.015 179.703 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . 0.512 ' O ' ' N ' ' A' ' 665' ' ' GLY . 0.5 OUTLIER -79.41 142.64 35.77 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.286 -0.883 . . . . 0.0 110.029 179.965 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.411 ' HB3' ' HA ' ' A' ' 695' ' ' LEU . 3.9 tp -115.07 -16.79 11.57 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.183 -0.948 . . . . 0.0 110.41 -179.897 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 679' ' ' GLN . . . . . 0.475 ' HB3' ' NE2' ' A' ' 681' ' ' HIS . 3.0 mm-40 -141.38 142.73 27.6 Favored Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.178 -0.951 . . . . 0.0 110.354 -179.884 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 680' ' ' PRO . . . . . 0.519 ' O ' ' ND1' ' A' ' 681' ' ' HIS . 3.2 Cg_exo -59.89 110.7 0.79 Allowed 'Trans proline' 0 C--N 1.313 -1.307 0 O-C-N 123.638 1.336 . . . . 0.0 110.916 179.746 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 681' ' ' HIS . . . . . 0.519 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 43.9 m-70 -150.62 -174.89 4.9 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.244 -0.91 . . . . 0.0 110.091 179.737 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 682' ' ' THR . . . . . 0.566 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 12.1 m -118.04 121.37 40.44 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.237 -0.914 . . . . 0.0 110.582 -179.668 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 683' ' ' SER . . . . . 0.55 ' HA ' ' CE3' ' A' ' 687' ' ' TRP . 3.4 m -83.56 147.36 27.81 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.34 -0.85 . . . . 0.0 110.059 179.756 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . 0.522 ' CD2' ' N ' ' A' ' 684' ' ' LEU . 0.5 OUTLIER -154.96 -171.68 3.92 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.206 -0.934 . . . . 0.0 110.534 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -64.12 70.79 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.372 -0.83 . . . . 0.0 110.095 179.894 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 686' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . -176.09 -36.82 0.05 OUTLIER Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.131 -1.588 . . . . 0.0 109.131 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 687' ' ' TRP . . . . . 0.566 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 47.7 m0 -89.19 38.75 0.91 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.337 -1.096 . . . . 0.0 110.1 179.86 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 688' ' ' GLU . . . . . 0.581 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.7 mt-10 -89.52 -48.76 0.4 Allowed Pre-proline 0 N--CA 1.494 1.738 0 O-C-N 121.266 -0.896 . . . . 0.0 110.563 -179.768 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 689' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.5 Cg_endo -70.65 -6.35 18.84 Favored 'Trans proline' 0 C--N 1.314 -1.287 0 O-C-N 123.187 1.098 . . . . 0.0 109.843 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 690' ' ' SER . . . . . 0.479 ' CB ' ' CE2' ' A' ' 675' ' ' TYR . 1.9 p 61.58 51.5 4.01 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.393 -0.817 . . . . 0.0 109.615 -179.469 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 691' ' ' ASN . . . . . 0.401 ' OD1' HG12 ' A' ' 692' ' ' VAL . 12.3 p30 -82.64 14.82 2.9 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.285 -0.884 . . . . 0.0 110.664 -179.642 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 692' ' ' VAL . . . . . 0.523 HG22 ' CD1' ' A' ' 695' ' ' LEU . 30.6 m -136.62 80.31 38.41 Favored Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.1 -1.0 . . . . 0.0 110.135 179.762 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.86 -13.79 32.88 Favored 'Trans proline' 0 C--N 1.312 -1.36 0 O-C-N 123.734 1.387 . . . . 0.0 110.512 -179.929 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -54.65 -33.47 60.72 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.24 -0.913 . . . . 0.0 110.363 -179.896 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 695' ' ' LEU . . . . . 0.523 ' CD1' HG22 ' A' ' 692' ' ' VAL . 1.2 pp -130.97 -4.14 3.99 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.29 -0.882 . . . . 0.0 110.437 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 696' ' ' TRP . . . . . 0.478 ' N ' HD12 ' A' ' 695' ' ' LEU . 1.1 m95 -113.84 97.94 6.71 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.15 -0.969 . . . . 0.0 110.619 -179.639 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -101.08 108.6 20.34 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.15 -0.969 . . . . 0.0 109.773 179.476 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . 0.599 ' HB3' ' CE2' ' A' ' 675' ' ' TYR . 0.5 OUTLIER -102.3 -179.15 3.9 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.195 -0.941 . . . . 0.0 110.829 -179.459 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 699' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 . . . . . 0 N--CA 1.492 1.674 0 O-C-N 121.451 -0.781 . . . . 0.0 110.32 179.961 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 656' ' ' TRP . . . . . 0.571 ' CZ3' HG11 ' A' ' 658' ' ' VAL . 84.4 t90 . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.173 0.511 . . . . 0.0 110.028 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -141.15 150.17 42.45 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.178 -0.951 . . . . 0.0 110.358 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 658' ' ' VAL . . . . . 0.571 HG11 ' CZ3' ' A' ' 656' ' ' TRP . 11.6 m -86.68 158.86 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.344 -0.847 . . . . 0.0 110.101 179.908 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 659' ' ' ASN . . . . . 0.453 ' CB ' ' O ' ' A' ' 658' ' ' VAL . 52.3 t30 67.12 45.21 1.76 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.24 -0.913 . . . . 0.0 109.926 -179.853 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 2.9 m -140.38 164.26 30.58 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.256 -0.903 . . . . 0.0 110.491 -179.608 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . 0.468 ' HA ' ' HA ' ' A' ' 682' ' ' THR . . . -115.89 115.42 26.19 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.281 -0.887 . . . . 0.0 110.008 179.77 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 662' ' ' TYR . . . . . 0.407 ' O ' ' HA ' ' A' ' 680' ' ' PRO . 23.9 m-85 -101.07 155.08 18.19 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.128 -0.983 . . . . 0.0 110.344 -179.834 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 34.8 p -101.01 160.73 14.13 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.316 -0.865 . . . . 0.0 110.181 -179.906 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 664' ' ' ALA . . . . . 0.441 ' CB ' ' HD3' ' A' ' 680' ' ' PRO . . . -55.1 125.18 19.42 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.276 -0.89 . . . . 0.0 110.238 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 665' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 89.5 33.47 9.28 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.717 -1.353 . . . . 0.0 109.717 179.835 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 666' ' ' GLN . . . . . 0.481 ' CB ' ' HB2' ' A' ' 677' ' ' CYS . 0.0 OUTLIER -89.57 168.59 12.04 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.21 -1.17 . . . . 0.0 110.307 179.988 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 667' ' ' LEU . . . . . 0.46 ' CD1' ' C ' ' A' ' 667' ' ' LEU . 0.9 OUTLIER -128.05 105.08 8.14 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.248 -0.908 . . . . 0.0 110.161 -179.947 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 668' ' ' VAL . . . . . 0.472 ' HB ' ' HB2' ' A' ' 656' ' ' TRP . 2.6 m -115.33 166.24 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.183 -0.948 . . . . 0.0 110.005 179.897 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 669' ' ' THR . . . . . 0.423 ' HA ' ' HA ' ' A' ' 674' ' ' THR . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.131 -0.981 . . . . 0.0 109.984 179.539 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 674' ' ' THR . . . . . 0.423 ' HA ' ' HA ' ' A' ' 669' ' ' THR . 40.2 m . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.185 0.517 . . . . 0.0 110.032 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 675' ' ' TYR . . . . . 0.563 ' CZ ' HD13 ' A' ' 698' ' ' LEU . 39.2 m-85 -110.44 169.71 8.56 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.205 -0.934 . . . . 0.0 110.587 -179.878 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . 0.516 ' HB2' ' O ' ' A' ' 697' ' ' GLN . 0.1 OUTLIER -129.98 93.34 3.48 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.432 -0.793 . . . . 0.0 110.027 -179.941 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . 0.481 ' HB2' ' CB ' ' A' ' 666' ' ' GLN . 0.1 OUTLIER -48.29 144.85 3.65 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.244 -0.91 . . . . 0.0 110.388 -179.792 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.35 -2.41 6.88 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.258 -0.901 . . . . 0.0 110.657 -179.713 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -145.73 139.97 15.28 Favored Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.113 -0.992 . . . . 0.0 110.494 -179.816 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 680' ' ' PRO . . . . . 0.468 ' O ' ' ND1' ' A' ' 681' ' ' HIS . 2.7 Cg_endo -64.87 93.54 0.21 Allowed 'Trans proline' 0 C--N 1.315 -1.211 0 O-C-N 123.509 1.268 . . . . 0.0 110.375 179.715 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 681' ' ' HIS . . . . . 0.468 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 2.3 m-70 -136.79 -176.26 4.3 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.213 -0.93 . . . . 0.0 110.101 -179.931 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 682' ' ' THR . . . . . 0.468 ' HA ' ' HA ' ' A' ' 661' ' ' ALA . 40.4 m -116.37 126.06 52.95 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.321 -0.862 . . . . 0.0 110.25 179.939 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 683' ' ' SER . . . . . 0.46 ' HA ' ' CE3' ' A' ' 687' ' ' TRP . 2.5 m -89.62 146.26 24.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.289 -0.882 . . . . 0.0 110.049 179.819 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . 0.524 ' O ' ' N ' ' A' ' 686' ' ' GLY . 0.5 OUTLIER -145.21 -171.16 3.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.324 -0.86 . . . . 0.0 110.346 -179.839 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -65.08 67.05 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.35 -0.844 . . . . 0.0 110.116 179.87 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 686' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . -174.92 -33.46 0.04 OUTLIER Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 -179.889 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 687' ' ' TRP . . . . . 0.46 ' CE3' ' HA ' ' A' ' 683' ' ' SER . 43.9 m0 -86.93 34.14 0.67 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.122 -1.222 . . . . 0.0 110.398 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 688' ' ' GLU . . . . . 0.609 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.2 mt-10 -87.22 -47.11 0.5 Allowed Pre-proline 0 N--CA 1.494 1.756 0 O-C-N 121.202 -0.936 . . . . 0.0 110.593 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 689' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.7 Cg_endo -69.08 -5.53 16.01 Favored 'Trans proline' 0 C--N 1.314 -1.26 0 O-C-N 123.235 1.123 . . . . 0.0 110.145 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 690' ' ' SER . . . . . 0.474 ' OG ' ' O ' ' A' ' 690' ' ' SER . 1.5 p 64.55 51.66 1.92 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.381 -0.825 . . . . 0.0 109.655 -179.502 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 691' ' ' ASN . . . . . 0.447 ' OD1' HG13 ' A' ' 692' ' ' VAL . 16.6 p30 -79.88 6.44 11.13 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.236 -0.915 . . . . 0.0 110.717 -179.542 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 692' ' ' VAL . . . . . 0.447 HG13 ' OD1' ' A' ' 691' ' ' ASN . 16.7 m -132.03 76.91 72.66 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.144 -0.973 . . . . 0.0 110.076 179.639 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -60.36 -24.48 77.74 Favored 'Trans proline' 0 C--N 1.311 -1.404 0 O-C-N 123.738 1.388 . . . . 0.0 110.529 -179.905 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -47.7 -30.44 3.82 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.174 -0.954 . . . . 0.0 109.743 179.746 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 695' ' ' LEU . . . . . 0.514 ' C ' ' CD1' ' A' ' 695' ' ' LEU . 3.4 pp -127.04 -5.5 6.17 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.35 -0.844 . . . . 0.0 110.013 179.557 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 696' ' ' TRP . . . . . 0.522 ' HA ' ' CE3' ' A' ' 696' ' ' TRP . 0.5 OUTLIER -106.97 105.41 15.43 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.143 -0.973 . . . . 0.0 110.002 179.842 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 697' ' ' GLN . . . . . 0.516 ' O ' ' HB2' ' A' ' 676' ' ' LYS . 3.9 tt0 -99.34 82.69 2.72 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.107 -0.996 . . . . 0.0 109.657 179.731 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . 0.563 HD13 ' CZ ' ' A' ' 675' ' ' TYR . 40.8 tp -63.1 158.39 19.82 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.039 -1.038 . . . . 0.0 110.54 -179.484 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 699' ' ' GLN . . . . . 0.442 ' OE1' ' NZ ' ' A' ' 676' ' ' LYS . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.291 -0.88 . . . . 0.0 110.214 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 656' ' ' TRP . . . . . 0.624 ' CH2' ' CG1' ' A' ' 658' ' ' VAL . 52.0 t90 . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 121.191 0.52 . . . . 0.0 110.095 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -139.1 128.43 24.18 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.309 -0.87 . . . . 0.0 110.363 -179.88 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 658' ' ' VAL . . . . . 0.624 ' CG1' ' CH2' ' A' ' 656' ' ' TRP . 6.6 m -61.97 158.27 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.306 -0.871 . . . . 0.0 110.232 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 53.66 52.82 12.46 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.268 -0.895 . . . . 0.0 109.726 -179.747 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 22.1 m -136.57 155.21 50.24 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.353 -0.842 . . . . 0.0 110.453 -179.68 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -103.63 114.63 29.05 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.233 -0.917 . . . . 0.0 110.109 179.893 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -105.85 155.83 18.94 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.299 -0.876 . . . . 0.0 110.04 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 12.7 p -99.8 177.58 5.08 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.18 -0.95 . . . . 0.0 110.102 179.929 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 664' ' ' ALA . . . . . 0.476 ' HB2' ' HA ' ' A' ' 679' ' ' GLN . . . -73.75 129.68 38.43 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.343 -0.848 . . . . 0.0 110.246 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 665' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 79.57 32.93 36.12 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.714 -1.354 . . . . 0.0 109.714 179.696 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -89.98 160.71 16.24 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.309 -1.112 . . . . 0.0 110.146 179.769 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 667' ' ' LEU . . . . . 0.493 ' CD1' ' C ' ' A' ' 667' ' ' LEU . 3.4 tm? -114.11 112.16 22.76 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.164 -0.96 . . . . 0.0 110.229 -179.962 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 668' ' ' VAL . . . . . . . . . . . . . 2.3 m -125.65 166.08 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.228 -0.92 . . . . 0.0 109.843 179.69 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 2.6 p . . . . . 0 N--CA 1.49 1.53 0 O-C-N 121.191 -0.943 . . . . 0.0 110.166 179.863 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 674' ' ' THR . . . . . 0.442 ' HB ' ' HG3' ' A' ' 699' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.074 0.464 . . . . 0.0 109.991 . . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 675' ' ' TYR . . . . . 0.592 ' CE1' ' HB3' ' A' ' 698' ' ' LEU . 21.0 m-85 -138.8 154.83 48.51 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.219 -0.926 . . . . 0.0 110.871 -179.815 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . 0.432 ' HG3' HD22 ' A' ' 667' ' ' LEU . 0.0 OUTLIER -131.26 101.04 5.39 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.462 -0.773 . . . . 0.0 110.318 -179.655 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 665' ' ' GLY . 5.8 t -57.23 148.09 23.41 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.257 -0.902 . . . . 0.0 110.126 179.714 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.19 -21.21 7.07 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.223 -0.923 . . . . 0.0 110.671 -179.738 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 679' ' ' GLN . . . . . 0.476 ' HA ' ' HB2' ' A' ' 664' ' ' ALA . 14.7 mm100 -133.38 147.07 63.42 Favored Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.133 -0.979 . . . . 0.0 110.637 -179.687 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 680' ' ' PRO . . . . . 0.432 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 2.7 Cg_endo -62.98 100.37 0.24 Allowed 'Trans proline' 0 C--N 1.314 -1.271 0 O-C-N 123.643 1.339 . . . . 0.0 110.531 179.894 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 681' ' ' HIS . . . . . 0.454 ' CD2' ' HB2' ' A' ' 679' ' ' GLN . 48.3 m-70 -142.36 -177.14 5.12 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.164 -0.96 . . . . 0.0 110.309 179.872 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 682' ' ' THR . . . . . 0.431 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 31.7 m -114.67 123.18 48.65 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.334 -0.854 . . . . 0.0 110.185 -179.927 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 683' ' ' SER . . . . . 0.41 ' HA ' ' CE3' ' A' ' 687' ' ' TRP . 0.1 OUTLIER -77.44 147.62 35.86 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.327 -0.858 . . . . 0.0 109.779 179.729 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . 0.564 ' CD2' ' N ' ' A' ' 684' ' ' LEU . 0.7 OUTLIER -155.41 -176.21 5.83 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.34 -0.85 . . . . 0.0 110.601 -179.923 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -64.92 64.67 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.559 -0.713 . . . . 0.0 110.211 -179.811 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 686' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . -169.49 -36.4 0.02 OUTLIER Glycine 0 N--CA 1.489 2.183 0 N-CA-C 109.135 -1.586 . . . . 0.0 109.135 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 687' ' ' TRP . . . . . 0.431 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 44.8 m0 -87.68 37.1 0.78 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.291 -1.123 . . . . 0.0 110.059 179.742 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 688' ' ' GLU . . . . . 0.591 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.5 mt-10 -88.42 -48.22 0.44 Allowed Pre-proline 0 N--CA 1.497 1.89 0 O-C-N 121.276 -0.89 . . . . 0.0 110.459 -179.851 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 689' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.5 Cg_endo -70.22 -4.56 14.59 Favored 'Trans proline' 0 C--N 1.314 -1.272 0 O-C-N 123.271 1.143 . . . . 0.0 109.861 179.832 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 690' ' ' SER . . . . . 0.513 ' CB ' ' CE1' ' A' ' 675' ' ' TYR . 4.8 p 56.9 45.73 20.9 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.313 -0.867 . . . . 0.0 109.462 -179.209 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 21.3 p30 -79.56 4.19 16.58 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.437 -0.79 . . . . 0.0 110.187 -179.787 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 692' ' ' VAL . . . . . 0.405 ' O ' HD12 ' A' ' 695' ' ' LEU . 1.2 m -119.84 78.7 23.43 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.344 -0.848 . . . . 0.0 110.037 179.689 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -60.93 -16.08 42.76 Favored 'Trans proline' 0 C--N 1.311 -1.434 0 O-C-N 123.78 1.411 . . . . 0.0 110.43 -179.912 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -56.77 -32.75 65.93 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.282 -0.886 . . . . 0.0 110.223 -179.906 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 695' ' ' LEU . . . . . 0.632 ' CD1' ' CD1' ' A' ' 696' ' ' TRP . 1.2 pp -133.58 -2.43 3.03 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.253 -0.905 . . . . 0.0 110.731 -179.789 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 696' ' ' TRP . . . . . 0.632 ' CD1' ' CD1' ' A' ' 695' ' ' LEU . 2.3 m95 -120.65 95.55 4.77 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.982 -1.073 . . . . 0.0 110.443 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 39.6 tp60 -99.9 105.14 16.83 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.264 -0.898 . . . . 0.0 109.777 179.637 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 698' ' ' LEU . . . . . 0.592 ' HB3' ' CE1' ' A' ' 675' ' ' TYR . 0.4 OUTLIER -82.68 171.45 14.0 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.176 -0.953 . . . . 0.0 110.679 -179.398 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 699' ' ' GLN . . . . . 0.442 ' HG3' ' HB ' ' A' ' 674' ' ' THR . 2.9 pt20 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.424 -0.797 . . . . 0.0 110.18 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . 0.443 ' N ' ' OG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.19 0.519 . . . . 0.0 110.195 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 656' ' ' TRP . . . . . 0.686 ' CD2' ' CE2' ' A' ' 670' ' ' TYR . 30.2 t90 -51.22 146.42 6.71 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.114 -0.991 . . . . 0.0 109.958 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -119.94 122.66 41.71 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.206 -0.934 . . . . 0.0 110.447 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 658' ' ' VAL . . . . . 0.632 ' CG2' ' CH2' ' A' ' 656' ' ' TRP . 2.9 t -73.23 145.51 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.265 -0.897 . . . . 0.0 109.884 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 659' ' ' ASN . . . . . 0.455 ' HB2' ' O ' ' A' ' 658' ' ' VAL . 3.0 m-80 60.56 53.31 4.17 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.22 -0.925 . . . . 0.0 110.059 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 8.0 m -136.34 173.5 11.63 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.165 -0.96 . . . . 0.0 110.388 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -110.84 112.96 25.18 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.247 -0.908 . . . . 0.0 109.975 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -108.31 153.07 23.77 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.192 -0.943 . . . . 0.0 110.414 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 663' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 664' ' ' ALA . 60.4 p -112.97 148.34 35.26 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.323 -0.861 . . . . 0.0 109.912 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 664' ' ' ALA . . . . . 0.534 ' CB ' ' HD3' ' A' ' 680' ' ' PRO . . . -43.24 147.75 0.34 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.296 -0.877 . . . . 0.0 110.102 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 76.94 20.52 75.89 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . 0.472 ' HB2' ' HB3' ' A' ' 677' ' ' CYS . 0.9 OUTLIER -88.41 172.6 9.26 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.238 -1.154 . . . . 0.0 110.101 179.888 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 667' ' ' LEU . . . . . 0.456 ' HG ' ' HG3' ' A' ' 676' ' ' LYS . 1.2 tt -137.65 111.47 8.25 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.308 -0.87 . . . . 0.0 110.437 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 668' ' ' VAL . . . . . 0.542 HG23 ' CH2' ' A' ' 696' ' ' TRP . 2.3 m -116.36 161.45 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.206 -0.934 . . . . 0.0 109.9 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 669' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' A' ' 655' ' ' ALA . 4.0 p -140.52 125.53 18.42 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.143 -0.973 . . . . 0.0 110.279 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 670' ' ' TYR . . . . . 0.686 ' CE2' ' CD2' ' A' ' 656' ' ' TRP . 70.7 m-85 -97.72 -156.7 0.55 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.32 -0.863 . . . . 0.0 109.837 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . 0.403 ' O ' ' HG2' ' A' ' 673' ' ' LYS . 2.5 t-20 -47.82 90.87 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.037 -1.039 . . . . 0.0 110.121 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 672' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 670' ' ' TYR . . . 52.02 30.05 29.5 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 673' ' ' LYS . . . . . 0.465 ' HB2' ' HB2' ' A' ' 670' ' ' TYR . 19.3 mmtt -116.21 147.62 41.25 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.132 -1.217 . . . . 0.0 110.448 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 674' ' ' THR . . . . . . . . . . . . . 7.2 m -103.7 134.17 47.47 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.382 -0.824 . . . . 0.0 110.062 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 675' ' ' TYR . . . . . 0.593 ' CE1' ' HB3' ' A' ' 698' ' ' LEU . 18.0 m-85 -142.18 147.51 36.72 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.22 -0.925 . . . . 0.0 110.52 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . 0.456 ' HG3' ' HG ' ' A' ' 667' ' ' LEU . 0.0 OUTLIER -130.15 107.57 9.4 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.37 -0.831 . . . . 0.0 110.343 -179.804 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . 0.472 ' HB3' ' HB2' ' A' ' 666' ' ' GLN . 0.1 OUTLIER -61.31 136.02 57.91 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.224 -0.922 . . . . 0.0 110.144 179.847 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.428 HD22 ' OE1' ' A' ' 697' ' ' GLN . 1.9 mp -120.48 -3.66 9.88 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.147 -0.971 . . . . 0.0 110.466 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 679' ' ' GLN . . . . . 0.441 ' HB2' ' CB ' ' A' ' 695' ' ' LEU . 0.0 OUTLIER -135.87 131.27 18.95 Favored Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 121.109 -0.994 . . . . 0.0 110.201 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 680' ' ' PRO . . . . . 0.536 ' O ' ' ND1' ' A' ' 681' ' ' HIS . 3.1 Cg_exo -62.16 109.04 0.75 Allowed 'Trans proline' 0 C--N 1.315 -1.225 0 O-C-N 123.508 1.267 . . . . 0.0 110.842 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 681' ' ' HIS . . . . . 0.536 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 8.4 m-70 -155.62 -168.98 2.97 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.417 -0.802 . . . . 0.0 110.108 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 24.9 m -117.83 125.29 50.27 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.145 -0.972 . . . . 0.0 110.527 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.79 136.86 47.25 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.226 -0.921 . . . . 0.0 109.771 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . 0.514 ' O ' ' N ' ' A' ' 686' ' ' GLY . 1.6 pt? -132.47 167.48 19.88 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.174 -0.954 . . . . 0.0 110.779 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -63.4 71.6 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.475 -0.765 . . . . 0.0 110.316 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 686' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 178.02 -31.94 0.07 OUTLIER Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 687' ' ' TRP . . . . . 0.405 ' HB2' HD21 ' A' ' 684' ' ' LEU . 18.3 m0 -88.55 36.27 0.79 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.282 -1.128 . . . . 0.0 109.808 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 688' ' ' GLU . . . . . 0.624 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 2.1 mt-10 -86.91 -46.2 0.52 Allowed Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 121.355 -0.84 . . . . 0.0 110.808 -179.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 689' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.5 Cg_endo -68.09 -5.78 15.58 Favored 'Trans proline' 0 C--N 1.314 -1.244 0 O-C-N 123.206 1.109 . . . . 0.0 110.22 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 690' ' ' SER . . . . . 0.497 ' CB ' ' CE1' ' A' ' 675' ' ' TYR . 1.3 p 66.78 51.98 0.99 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.331 -0.855 . . . . 0.0 109.691 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -79.62 9.39 5.06 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.213 -0.929 . . . . 0.0 110.586 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 692' ' ' VAL . . . . . 0.417 ' O ' HG23 ' A' ' 692' ' ' VAL . 15.8 m -134.23 80.05 53.97 Favored Pre-proline 0 N--CA 1.492 1.633 0 O-C-N 121.168 -0.957 . . . . 0.0 109.905 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -59.54 -23.4 70.78 Favored 'Trans proline' 0 C--N 1.311 -1.412 0 O-C-N 123.675 1.355 . . . . 0.0 110.244 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -44.57 -27.06 0.43 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.296 -0.878 . . . . 0.0 109.685 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 695' ' ' LEU . . . . . 0.441 ' CB ' ' HB2' ' A' ' 679' ' ' GLN . 4.3 pp -137.5 -3.29 1.91 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.299 -0.876 . . . . 0.0 110.791 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 696' ' ' TRP . . . . . 0.542 ' CH2' HG23 ' A' ' 668' ' ' VAL . 0.7 OUTLIER -102.54 104.44 14.85 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.041 -1.037 . . . . 0.0 110.546 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 697' ' ' GLN . . . . . 0.43 ' O ' ' HB2' ' A' ' 676' ' ' LYS . 7.0 tp60 -99.74 85.25 3.06 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.277 -0.889 . . . . 0.0 109.696 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . 0.593 ' HB3' ' CE1' ' A' ' 675' ' ' TYR . 0.5 OUTLIER -87.36 167.31 14.15 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.207 -0.933 . . . . 0.0 110.807 -179.397 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 699' ' ' GLN . . . . . 0.409 ' N ' ' CD1' ' A' ' 698' ' ' LEU . 2.0 pt20 . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.39 -0.819 . . . . 0.0 110.069 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . 0.467 ' HA ' ' OG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.24 0.543 . . . . 0.0 110.24 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 656' ' ' TRP . . . . . 0.677 ' CD2' ' CE2' ' A' ' 670' ' ' TYR . 54.0 t90 -61.2 128.83 38.31 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.237 -0.914 . . . . 0.0 110.365 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -114.83 140.8 48.64 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.19 -0.944 . . . . 0.0 110.169 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 658' ' ' VAL . . . . . . . . . . . . . 5.9 p -73.16 160.07 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.349 -0.844 . . . . 0.0 110.861 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 57.29 57.09 4.66 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.299 -0.875 . . . . 0.0 110.544 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 3.4 t -140.27 169.66 17.26 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.176 -0.953 . . . . 0.0 110.221 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -117.1 111.41 19.47 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.196 -0.94 . . . . 0.0 109.957 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -100.36 158.52 15.83 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.185 -0.947 . . . . 0.0 110.365 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 34.0 p -108.41 163.68 13.0 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.332 -0.855 . . . . 0.0 109.925 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 664' ' ' ALA . . . . . 0.449 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -60.61 119.33 7.88 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.279 -0.888 . . . . 0.0 110.281 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 97.38 28.31 8.61 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . 0.51 ' CB ' ' HB2' ' A' ' 677' ' ' CYS . 0.8 OUTLIER -86.48 177.37 7.43 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.262 -1.14 . . . . 0.0 110.069 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 1.9 tt -140.5 101.09 4.03 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.215 -0.928 . . . . 0.0 110.541 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 668' ' ' VAL . . . . . 0.438 ' HB ' ' HB2' ' A' ' 656' ' ' TRP . 4.2 m -115.57 169.5 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.321 -0.862 . . . . 0.0 109.626 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 669' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' A' ' 673' ' ' LYS . 41.0 p -140.82 129.87 23.35 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.994 -1.067 . . . . 0.0 110.553 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 670' ' ' TYR . . . . . 0.677 ' CE2' ' CD2' ' A' ' 656' ' ' TRP . 91.9 m-85 -96.35 87.75 4.55 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.167 -0.958 . . . . 0.0 110.127 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 670' ' ' TYR . 8.9 m-20 40.67 88.43 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.354 -0.841 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . 74.43 -1.05 52.82 Favored Glycine 0 N--CA 1.492 2.402 0 N-CA-C 110.1 -1.2 . . . . 0.0 110.1 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 673' ' ' LYS . . . . . 0.519 ' HB2' ' HB2' ' A' ' 670' ' ' TYR . 50.7 mmtt -102.16 138.28 39.32 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.089 -1.242 . . . . 0.0 110.67 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 674' ' ' THR . . . . . . . . . . . . . 4.2 m -103.16 118.09 36.0 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.313 -0.867 . . . . 0.0 109.44 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 675' ' ' TYR . . . . . 0.596 ' CE2' ' HB3' ' A' ' 698' ' ' LEU . 16.8 m-85 -133.67 158.76 42.43 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.172 -0.955 . . . . 0.0 110.923 -179.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . 0.48 ' HG2' ' O ' ' A' ' 697' ' ' GLN . 0.9 OUTLIER -140.3 135.32 32.12 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.4 -0.812 . . . . 0.0 109.823 179.545 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . 0.551 ' SG ' ' CH2' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -81.27 144.77 31.31 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.155 -0.965 . . . . 0.0 110.061 -179.877 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.9 -15.8 11.2 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.302 -0.873 . . . . 0.0 110.489 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 679' ' ' GLN . . . . . 0.429 ' HA ' ' HB2' ' A' ' 664' ' ' ALA . 47.9 mt-30 -138.65 142.48 34.4 Favored Pre-proline 0 N--CA 1.492 1.633 0 O-C-N 121.166 -0.959 . . . . 0.0 110.391 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 680' ' ' PRO . . . . . 0.521 ' O ' ' ND1' ' A' ' 681' ' ' HIS . 3.2 Cg_exo -61.92 105.0 0.35 Allowed 'Trans proline' 0 C--N 1.313 -1.302 0 O-C-N 123.617 1.325 . . . . 0.0 110.842 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 681' ' ' HIS . . . . . 0.521 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 14.5 m-70 -147.27 -161.26 1.29 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.299 -0.876 . . . . 0.0 110.029 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 682' ' ' THR . . . . . 0.52 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 21.5 m -130.65 135.23 47.64 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.098 -1.001 . . . . 0.0 110.673 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 59.1 m -90.37 149.49 22.26 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.275 -0.891 . . . . 0.0 110.108 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . 0.526 ' CD2' ' N ' ' A' ' 684' ' ' LEU . 0.7 OUTLIER -151.42 -177.75 6.26 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.344 -0.847 . . . . 0.0 110.233 179.824 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -64.29 74.75 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.238 -0.914 . . . . 0.0 110.011 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 686' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 175.04 -32.06 0.09 OUTLIER Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.626 -1.39 . . . . 0.0 109.626 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 687' ' ' TRP . . . . . 0.52 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 38.9 m0 -86.38 33.38 0.63 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.172 -1.193 . . . . 0.0 110.216 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 688' ' ' GLU . . . . . 0.588 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 0.7 OUTLIER -90.17 -48.44 0.38 Allowed Pre-proline 0 N--CA 1.496 1.841 0 O-C-N 121.222 -0.924 . . . . 0.0 110.759 -179.666 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 689' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.7 Cg_endo -70.54 -0.99 8.41 Favored 'Trans proline' 0 C--N 1.315 -1.205 0 O-C-N 123.258 1.136 . . . . 0.0 110.801 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 690' ' ' SER . . . . . 0.462 ' OG ' ' O ' ' A' ' 690' ' ' SER . 4.0 p 60.89 56.77 2.78 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.287 -0.883 . . . . 0.0 109.917 -179.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 691' ' ' ASN . . . . . 0.4 ' C ' ' HD3' ' A' ' 693' ' ' PRO . 8.3 m-80 -79.44 -16.42 56.16 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.337 -0.852 . . . . 0.0 110.195 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 692' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 692' ' ' VAL . 18.6 m -116.87 78.48 9.33 Favored Pre-proline 0 N--CA 1.489 1.52 0 O-C-N 121.168 -0.957 . . . . 0.0 110.217 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 693' ' ' PRO . . . . . 0.4 ' HD3' ' C ' ' A' ' 691' ' ' ASN . 3.0 Cg_exo -60.14 -14.88 30.96 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 O-C-N 123.664 1.349 . . . . 0.0 110.433 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -50.35 -32.37 17.13 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.216 -0.928 . . . . 0.0 110.063 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 695' ' ' LEU . . . . . 0.605 ' CD1' ' CD1' ' A' ' 696' ' ' TRP . 1.0 OUTLIER -128.44 -12.25 5.02 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.206 -0.934 . . . . 0.0 110.557 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 696' ' ' TRP . . . . . 0.605 ' CD1' ' CD1' ' A' ' 695' ' ' LEU . 2.8 m95 -105.29 97.03 6.93 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.171 -0.956 . . . . 0.0 110.37 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 697' ' ' GLN . . . . . 0.48 ' O ' ' HG2' ' A' ' 676' ' ' LYS . 0.4 OUTLIER -105.1 118.79 37.43 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.228 -0.92 . . . . 0.0 109.883 179.647 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . 0.596 ' HB3' ' CE2' ' A' ' 675' ' ' TYR . 2.4 pp -102.29 -173.96 2.46 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.964 -1.085 . . . . 0.0 110.76 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 699' ' ' GLN . . . . . 0.571 ' N ' ' CD1' ' A' ' 698' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 O-C-N 121.522 -0.736 . . . . 0.0 110.227 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.183 0.516 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 656' ' ' TRP . . . . . 0.441 ' HA ' ' HB ' ' A' ' 668' ' ' VAL . 76.2 t90 -67.18 121.66 16.14 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.112 -0.992 . . . . 0.0 110.168 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 24.3 mm100 -104.04 114.0 27.94 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.315 -0.866 . . . . 0.0 110.094 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 658' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.55 155.83 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.192 -0.943 . . . . 0.0 110.119 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 3.1 m120 50.96 59.29 4.73 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.314 -0.866 . . . . 0.0 110.136 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 660' ' ' THR . . . . . 0.475 HG22 ' N ' ' A' ' 661' ' ' ALA . 24.8 m -140.92 161.08 38.67 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.274 -0.891 . . . . 0.0 110.53 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . 0.475 ' N ' HG22 ' A' ' 660' ' ' THR . . . -104.33 126.57 51.54 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.25 -0.906 . . . . 0.0 109.906 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -120.89 148.58 43.86 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.192 -0.943 . . . . 0.0 110.453 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 56.1 p -100.78 162.04 13.19 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.35 -0.844 . . . . 0.0 109.996 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 664' ' ' ALA . . . . . 0.49 ' HA ' ' N ' ' A' ' 679' ' ' GLN . . . -58.63 108.06 0.59 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.216 -0.927 . . . . 0.0 110.302 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 114.89 25.82 3.78 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . 0.541 ' CB ' ' HB2' ' A' ' 677' ' ' CYS . 1.4 mm-40 -90.5 -179.26 5.53 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.133 -1.216 . . . . 0.0 110.043 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.91 127.1 22.65 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.276 -0.89 . . . . 0.0 110.67 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 668' ' ' VAL . . . . . 0.474 ' CG2' ' HB2' ' A' ' 675' ' ' TYR . 2.5 m -137.01 156.91 35.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.234 -0.916 . . . . 0.0 109.976 179.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 669' ' ' THR . . . . . 0.403 HG21 ' C ' ' A' ' 668' ' ' VAL . 53.3 p -140.42 124.66 17.66 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.123 -0.986 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 670' ' ' TYR . . . . . 0.538 ' CZ ' ' HA ' ' A' ' 688' ' ' GLU . 76.7 m-85 -84.63 -174.07 5.07 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.195 -0.94 . . . . 0.0 110.364 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . 0.472 ' C ' ' O ' ' A' ' 670' ' ' TYR . 1.9 p-10 -31.15 -35.87 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.896 -0.502 . . . . 0.0 111.5 -179.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 672' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 670' ' ' TYR . . . -167.44 41.97 0.24 Allowed Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 673' ' ' LYS . . . . . 0.459 ' HB2' ' HB2' ' A' ' 670' ' ' TYR . 38.2 mmtt -134.57 149.36 50.61 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.242 -1.152 . . . . 0.0 110.504 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 674' ' ' THR . . . . . 0.447 ' HB ' ' HG3' ' A' ' 699' ' ' GLN . 87.7 m -108.31 130.18 55.2 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.38 -0.825 . . . . 0.0 110.022 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 675' ' ' TYR . . . . . 0.623 ' CE1' ' CB ' ' A' ' 690' ' ' SER . 49.1 m-85 -132.96 158.62 42.21 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.334 -0.854 . . . . 0.0 110.815 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . 0.475 ' HB2' ' O ' ' A' ' 697' ' ' GLN . 0.4 OUTLIER -134.62 99.51 4.36 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.419 -0.8 . . . . 0.0 109.96 179.73 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . 0.541 ' HB2' ' CB ' ' A' ' 666' ' ' GLN . 0.5 OUTLIER -50.98 134.75 25.73 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.286 -0.884 . . . . 0.0 109.88 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.425 ' O ' ' HB3' ' A' ' 664' ' ' ALA . 0.1 OUTLIER -122.05 1.08 9.76 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.087 -1.008 . . . . 0.0 110.953 -179.402 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 679' ' ' GLN . . . . . 0.49 ' N ' ' HA ' ' A' ' 664' ' ' ALA . 5.5 mt-30 -150.82 148.0 22.21 Favored Pre-proline 0 N--CA 1.493 1.712 0 O-C-N 120.921 -1.112 . . . . 0.0 110.754 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 680' ' ' PRO . . . . . 0.466 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.0 Cg_exo -61.61 99.54 0.18 Allowed 'Trans proline' 0 C--N 1.315 -1.231 0 O-C-N 123.684 1.36 . . . . 0.0 110.462 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 681' ' ' HIS . . . . . 0.454 ' CD2' HD23 ' A' ' 695' ' ' LEU . 34.4 m-70 -147.04 165.35 30.16 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.244 -0.91 . . . . 0.0 110.328 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 682' ' ' THR . . . . . 0.447 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 42.9 m -104.6 135.97 45.01 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.306 -0.871 . . . . 0.0 110.494 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 12.0 p -89.94 145.86 24.81 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.271 -0.893 . . . . 0.0 109.849 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . 0.524 ' CD2' ' N ' ' A' ' 684' ' ' LEU . 1.2 pt? -158.39 179.56 9.03 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.239 -0.913 . . . . 0.0 110.382 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -60.42 78.66 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.41 -0.806 . . . . 0.0 109.99 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 686' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 171.65 -42.97 0.18 Allowed Glycine 0 N--CA 1.489 2.183 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 687' ' ' TRP . . . . . 0.447 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 46.2 m0 -89.46 37.72 0.88 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.24 -1.153 . . . . 0.0 109.951 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 688' ' ' GLU . . . . . 0.605 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.3 mt-10 -88.24 -47.84 0.45 Allowed Pre-proline 0 N--CA 1.496 1.866 0 O-C-N 121.287 -0.883 . . . . 0.0 110.511 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 689' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.7 Cg_endo -69.26 -4.23 13.27 Favored 'Trans proline' 0 C--N 1.315 -1.203 0 O-C-N 123.244 1.129 . . . . 0.0 110.191 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 690' ' ' SER . . . . . 0.623 ' CB ' ' CE1' ' A' ' 675' ' ' TYR . 1.7 p 62.89 57.7 1.65 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.397 -0.814 . . . . 0.0 109.717 -179.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 691' ' ' ASN . . . . . 0.4 ' OD1' ' HB2' ' A' ' 689' ' ' PRO . 9.3 m-20 -79.18 -4.41 50.37 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.319 -0.863 . . . . 0.0 110.668 -179.465 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 692' ' ' VAL . . . . . 0.495 ' O ' HG23 ' A' ' 692' ' ' VAL . 17.8 m -120.78 88.0 43.27 Favored Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.052 -1.03 . . . . 0.0 110.469 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.5 -25.21 79.33 Favored 'Trans proline' 0 C--N 1.31 -1.459 0 O-C-N 123.521 1.274 . . . . 0.0 110.399 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -46.33 -30.63 2.16 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.294 -0.879 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 695' ' ' LEU . . . . . 0.584 HD13 ' CG ' ' A' ' 696' ' ' TRP . 4.2 pp -130.34 -4.09 4.34 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.206 -0.934 . . . . 0.0 110.541 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 696' ' ' TRP . . . . . 0.584 ' CG ' HD13 ' A' ' 695' ' ' LEU . 1.2 m95 -108.64 99.84 9.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.108 -0.995 . . . . 0.0 110.687 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 697' ' ' GLN . . . . . 0.475 ' O ' ' HB2' ' A' ' 676' ' ' LYS . 6.0 tt0 -99.62 93.18 5.71 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.241 -0.912 . . . . 0.0 109.132 179.116 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . 0.585 ' HB3' ' CE1' ' A' ' 675' ' ' TYR . 0.5 OUTLIER -96.0 -176.24 3.64 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.282 -0.886 . . . . 0.0 111.03 -178.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 699' ' ' GLN . . . . . 0.449 ' N ' ' CD1' ' A' ' 698' ' ' LEU . 4.9 pt20 . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.522 -0.736 . . . . 0.0 110.265 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . 0.459 ' HA ' ' OG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.156 0.503 . . . . 0.0 110.327 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 656' ' ' TRP . . . . . 0.531 ' CD1' ' OH ' ' A' ' 670' ' ' TYR . 36.8 t90 -87.67 149.32 24.34 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.332 -0.855 . . . . 0.0 110.146 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -136.72 144.55 43.92 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.195 -0.941 . . . . 0.0 110.111 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 658' ' ' VAL . . . . . 0.497 HG23 ' N ' ' A' ' 659' ' ' ASN . 7.4 p -80.03 155.85 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.143 -0.973 . . . . 0.0 110.259 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 659' ' ' ASN . . . . . 0.497 ' N ' HG23 ' A' ' 658' ' ' VAL . 1.8 t-20 57.49 54.17 6.76 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.278 -0.889 . . . . 0.0 110.196 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 660' ' ' THR . . . . . 0.482 HG21 ' N ' ' A' ' 661' ' ' ALA . 58.7 m -140.22 167.54 21.91 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.101 -1.0 . . . . 0.0 110.886 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . 0.482 ' N ' HG21 ' A' ' 660' ' ' THR . . . -113.98 124.74 52.89 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.436 -0.79 . . . . 0.0 109.777 179.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 662' ' ' TYR . . . . . 0.435 ' O ' ' HA ' ' A' ' 680' ' ' PRO . 7.8 m-85 -113.42 151.98 30.66 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.141 -0.974 . . . . 0.0 110.631 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 6.1 p -100.19 154.27 18.58 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.301 -0.874 . . . . 0.0 109.72 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 664' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 678' ' ' LEU . . . -48.8 135.44 15.19 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.272 -0.893 . . . . 0.0 110.287 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 77.47 36.0 35.33 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . 0.506 ' HB2' ' CB ' ' A' ' 677' ' ' CYS . 0.0 OUTLIER -89.83 169.56 11.15 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.179 -1.189 . . . . 0.0 110.14 179.864 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 667' ' ' LEU . . . . . 0.499 ' CD2' ' HD2' ' A' ' 676' ' ' LYS . 3.3 tm? -129.17 117.26 20.48 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.192 -0.942 . . . . 0.0 110.519 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 668' ' ' VAL . . . . . 0.465 ' HB ' ' HB2' ' A' ' 656' ' ' TRP . 2.0 m -133.66 155.18 39.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.202 -0.936 . . . . 0.0 109.93 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 669' ' ' THR . . . . . 0.459 ' OG1' ' HA ' ' A' ' 655' ' ' ALA . 40.1 p -138.01 132.5 32.32 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.095 -1.003 . . . . 0.0 110.418 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 670' ' ' TYR . . . . . 0.576 ' CE2' ' HA ' ' A' ' 688' ' ' GLU . 58.0 m-85 -92.61 -173.09 3.25 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.254 -0.904 . . . . 0.0 110.1 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . 0.48 ' C ' ' O ' ' A' ' 670' ' ' TYR . 1.8 m120 -32.09 -37.93 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.836 -0.54 . . . . 0.0 111.315 -179.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 672' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 670' ' ' TYR . . . -162.76 38.77 0.35 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 673' ' ' LYS . . . . . 0.466 ' HB2' ' HB2' ' A' ' 670' ' ' TYR . 52.6 mttt -133.77 161.25 35.22 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.131 -1.217 . . . . 0.0 110.677 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 674' ' ' THR . . . . . . . . . . . . . 80.0 m -126.7 127.73 45.58 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.437 -0.789 . . . . 0.0 109.677 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 675' ' ' TYR . . . . . 0.614 ' CE1' ' CB ' ' A' ' 698' ' ' LEU . 93.1 m-85 -130.32 167.55 18.33 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.177 -0.952 . . . . 0.0 111.13 -179.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . 0.499 ' HD2' ' CD2' ' A' ' 667' ' ' LEU . 0.0 OUTLIER -139.52 102.47 4.47 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.653 -0.654 . . . . 0.0 109.986 -179.697 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 665' ' ' GLY . 0.1 OUTLIER -52.6 142.41 18.21 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.14 -0.975 . . . . 0.0 110.246 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.458 ' O ' ' HB3' ' A' ' 664' ' ' ALA . 0.3 OUTLIER -110.76 -29.0 8.17 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.387 -0.821 . . . . 0.0 110.148 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 679' ' ' GLN . . . . . 0.518 ' HB3' ' NE2' ' A' ' 681' ' ' HIS . 20.3 mt-30 -133.0 148.62 70.14 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.222 -0.924 . . . . 0.0 110.019 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 680' ' ' PRO . . . . . 0.435 ' HA ' ' O ' ' A' ' 662' ' ' TYR . 3.0 Cg_exo -59.77 102.31 0.17 Allowed 'Trans proline' 0 C--N 1.311 -1.413 0 O-C-N 123.59 1.31 . . . . 0.0 110.336 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 681' ' ' HIS . . . . . 0.518 ' NE2' ' HB3' ' A' ' 679' ' ' GLN . 22.0 m-70 -136.95 -167.04 2.01 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.16 -0.962 . . . . 0.0 110.485 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 682' ' ' THR . . . . . 0.401 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 96.8 m -126.37 128.4 47.0 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.318 -0.864 . . . . 0.0 110.412 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.9 140.81 33.87 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.34 -0.85 . . . . 0.0 109.864 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 686' ' ' GLY . 1.2 pt? -148.97 177.84 9.21 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.205 -0.934 . . . . 0.0 110.686 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -62.45 73.99 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.436 -0.79 . . . . 0.0 110.162 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 686' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 177.67 -39.59 0.09 OUTLIER Glycine 0 N--CA 1.489 2.173 0 N-CA-C 109.169 -1.572 . . . . 0.0 109.169 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 687' ' ' TRP . . . . . 0.401 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 48.0 m0 -89.6 38.82 0.92 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.344 -1.092 . . . . 0.0 109.796 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 688' ' ' GLU . . . . . 0.59 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.6 mt-10 -89.56 -48.98 0.39 Allowed Pre-proline 0 N--CA 1.494 1.762 0 O-C-N 121.237 -0.915 . . . . 0.0 110.516 -179.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 689' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.7 Cg_endo -69.71 -5.74 16.9 Favored 'Trans proline' 0 C--N 1.312 -1.348 0 O-C-N 123.299 1.157 . . . . 0.0 109.99 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 690' ' ' SER . . . . . 0.563 ' CB ' ' CE1' ' A' ' 675' ' ' TYR . 1.7 p 61.11 49.5 5.58 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.319 -0.863 . . . . 0.0 109.818 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 691' ' ' ASN . . . . . 0.449 ' OD1' HG12 ' A' ' 692' ' ' VAL . 13.5 p30 -83.48 15.56 3.01 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.361 -0.837 . . . . 0.0 110.439 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 692' ' ' VAL . . . . . 0.527 ' CG2' ' O ' ' A' ' 692' ' ' VAL . 19.7 m -137.28 81.58 31.12 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.287 -0.883 . . . . 0.0 110.06 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 693' ' ' PRO . . . . . 0.423 ' HA ' ' O ' ' A' ' 696' ' ' TRP . 3.1 Cg_exo -59.54 -18.99 49.99 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.674 1.355 . . . . 0.0 110.498 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 694' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 693' ' ' PRO . . . -44.53 -35.07 2.34 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.283 -0.886 . . . . 0.0 109.843 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 695' ' ' LEU . . . . . 0.652 ' CD1' ' CD1' ' A' ' 696' ' ' TRP . 3.1 pp -134.52 -3.24 2.67 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.374 -0.829 . . . . 0.0 110.552 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 696' ' ' TRP . . . . . 0.652 ' CD1' ' CD1' ' A' ' 695' ' ' LEU . 1.7 m95 -116.42 105.71 12.81 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.035 -1.041 . . . . 0.0 110.345 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -103.18 105.95 16.36 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.205 -0.934 . . . . 0.0 109.648 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . 0.614 ' CB ' ' CE1' ' A' ' 675' ' ' TYR . 0.4 OUTLIER -94.05 175.95 6.51 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.08 -1.012 . . . . 0.0 111.049 -179.203 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 699' ' ' GLN . . . . . 0.533 ' N ' ' CD1' ' A' ' 698' ' ' LEU . 15.1 pt20 . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.468 -0.77 . . . . 0.0 110.216 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . 0.456 ' HA ' ' OG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.281 0.562 . . . . 0.0 110.239 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 656' ' ' TRP . . . . . 0.449 ' CH2' ' HB ' ' A' ' 658' ' ' VAL . 88.2 t90 -86.47 153.61 21.74 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.116 -0.99 . . . . 0.0 110.251 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 657' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 656' ' ' TRP . 29.3 mt-30 -149.92 115.62 5.57 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.269 -0.894 . . . . 0.0 109.851 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 658' ' ' VAL . . . . . 0.449 ' HB ' ' CH2' ' A' ' 656' ' ' TRP . 12.1 p -48.04 155.79 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.315 -0.865 . . . . 0.0 110.561 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 51.41 59.61 4.46 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.49 -0.756 . . . . 0.0 110.453 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 660' ' ' THR . . . . . 0.639 ' CG2' ' CE1' ' A' ' 662' ' ' TYR . 84.3 m -140.35 138.37 34.81 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.159 -0.963 . . . . 0.0 110.227 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -87.36 128.07 35.2 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.243 -0.911 . . . . 0.0 110.095 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 662' ' ' TYR . . . . . 0.639 ' CE1' ' CG2' ' A' ' 660' ' ' THR . 20.5 m-85 -119.64 150.82 39.7 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.221 -0.924 . . . . 0.0 110.454 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 21.7 p -103.61 149.03 25.3 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.354 -0.841 . . . . 0.0 109.788 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 664' ' ' ALA . . . . . 0.525 ' CB ' ' HD3' ' A' ' 680' ' ' PRO . . . -49.84 127.45 16.22 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.133 -0.979 . . . . 0.0 110.284 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 99.37 18.14 24.69 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.72 -1.352 . . . . 0.0 109.72 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.34 -179.03 5.76 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.251 -1.146 . . . . 0.0 110.026 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 667' ' ' LEU . . . . . 0.457 ' C ' ' CD2' ' A' ' 667' ' ' LEU . 4.4 tt -151.1 116.32 5.33 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.188 -0.945 . . . . 0.0 110.242 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 668' ' ' VAL . . . . . 0.413 ' N ' HD22 ' A' ' 667' ' ' LEU . 4.4 m -116.68 163.97 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.245 -0.909 . . . . 0.0 110.1 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 669' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' A' ' 673' ' ' LYS . 62.6 p -140.03 125.78 19.39 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.173 -0.954 . . . . 0.0 110.318 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 670' ' ' TYR . . . . . 0.53 ' CZ ' ' O ' ' A' ' 688' ' ' GLU . 97.4 m-85 -88.63 -172.14 3.62 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.222 -0.924 . . . . 0.0 110.214 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . 0.495 ' C ' ' O ' ' A' ' 670' ' ' TYR . 3.0 t-20 -29.6 -38.42 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.997 0 CA-C-O 121.219 0.533 . . . . 0.0 111.397 -179.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 672' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 670' ' ' TYR . . . -166.81 44.35 0.26 Allowed Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.419 -1.473 . . . . 0.0 109.419 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 673' ' ' LYS . . . . . 0.457 ' O ' ' HA ' ' A' ' 669' ' ' THR . 11.1 mmtp -137.61 152.93 49.89 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.209 -1.171 . . . . 0.0 110.636 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 674' ' ' THR . . . . . 0.47 ' O ' ' HA ' ' A' ' 698' ' ' LEU . 7.2 m -112.45 133.9 54.27 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.456 -0.778 . . . . 0.0 110.028 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 675' ' ' TYR . . . . . 0.587 ' CE1' ' HB3' ' A' ' 698' ' ' LEU . 67.5 m-85 -136.99 158.55 44.2 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.373 -0.829 . . . . 0.0 110.54 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 667' ' ' LEU . 0.1 OUTLIER -133.86 105.27 6.68 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.511 -0.743 . . . . 0.0 110.099 -179.853 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 665' ' ' GLY . 0.1 OUTLIER -60.38 132.97 55.57 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.218 -0.926 . . . . 0.0 110.192 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.69 3.1 14.65 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.21 -0.931 . . . . 0.0 110.371 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 679' ' ' GLN . . . . . 0.521 ' HB3' ' CD2' ' A' ' 681' ' ' HIS . 9.4 mt-30 -148.35 138.82 13.12 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.128 -0.983 . . . . 0.0 110.434 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 680' ' ' PRO . . . . . 0.525 ' HD3' ' CB ' ' A' ' 664' ' ' ALA . 2.9 Cg_endo -62.32 99.36 0.2 Allowed 'Trans proline' 0 C--N 1.314 -1.26 0 O-C-N 123.498 1.262 . . . . 0.0 110.445 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 681' ' ' HIS . . . . . 0.521 ' CD2' ' HB3' ' A' ' 679' ' ' GLN . 29.8 m-70 -142.73 -179.66 6.46 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.162 -0.961 . . . . 0.0 110.212 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 78.4 m -115.24 129.39 56.62 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.246 -0.909 . . . . 0.0 110.307 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.25 146.86 28.33 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.223 -0.923 . . . . 0.0 110.199 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . 0.542 ' CD2' ' N ' ' A' ' 684' ' ' LEU . 1.2 pt? -154.81 -178.59 7.32 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.412 -0.805 . . . . 0.0 110.16 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -58.26 81.43 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.355 -0.84 . . . . 0.0 110.091 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 686' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 164.96 -45.31 0.29 Allowed Glycine 0 N--CA 1.488 2.131 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 45.9 m0 -86.57 30.48 0.72 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.084 -1.245 . . . . 0.0 110.312 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 688' ' ' GLU . . . . . 0.618 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.1 mt-10 -85.86 -47.68 0.57 Allowed Pre-proline 0 N--CA 1.496 1.83 0 O-C-N 121.137 -0.977 . . . . 0.0 110.254 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 689' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.6 Cg_endo -69.53 -3.97 12.93 Favored 'Trans proline' 0 C--N 1.315 -1.2 0 O-C-N 123.272 1.143 . . . . 0.0 110.386 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 690' ' ' SER . . . . . 0.509 ' CB ' ' CE1' ' A' ' 675' ' ' TYR . 1.2 p 71.06 59.41 0.18 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.29 -0.881 . . . . 0.0 109.757 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -80.18 1.11 29.54 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.218 -0.926 . . . . 0.0 111.179 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 692' ' ' VAL . . . . . 0.475 ' O ' ' HB2' ' A' ' 696' ' ' TRP . 9.1 m -132.61 87.77 40.63 Favored Pre-proline 0 N--CA 1.494 1.729 0 O-C-N 121.011 -1.056 . . . . 0.0 110.231 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -59.5 -34.75 97.02 Favored 'Trans proline' 0 C--N 1.31 -1.45 0 O-C-N 123.79 1.416 . . . . 0.0 110.516 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -44.87 -26.8 0.45 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.19 -0.944 . . . . 0.0 109.893 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 695' ' ' LEU . . . . . 0.552 HD12 ' CG ' ' A' ' 696' ' ' TRP . 4.6 pp -129.59 -1.3 4.9 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.365 -0.835 . . . . 0.0 110.125 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 696' ' ' TRP . . . . . 0.552 ' CG ' HD12 ' A' ' 695' ' ' LEU . 0.9 OUTLIER -119.45 98.24 6.04 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.222 -0.924 . . . . 0.0 110.045 179.552 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 697' ' ' GLN . . . . . 0.413 ' O ' ' HB2' ' A' ' 676' ' ' LYS . 24.2 tp60 -99.33 98.38 9.33 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.059 -1.026 . . . . 0.0 109.394 179.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . 0.587 ' HB3' ' CE1' ' A' ' 675' ' ' TYR . 0.8 OUTLIER -91.33 175.4 6.94 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.228 -0.92 . . . . 0.0 111.281 -179.01 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 699' ' ' GLN . . . . . 0.565 ' N ' ' CD1' ' A' ' 698' ' ' LEU . 2.4 pt20 . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.641 -0.662 . . . . 0.0 110.208 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . 0.426 ' HA ' ' OG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.221 0.534 . . . . 0.0 110.156 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 656' ' ' TRP . . . . . 0.613 ' CD2' ' CE2' ' A' ' 670' ' ' TYR . 77.6 t90 -55.56 135.09 51.14 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.233 -0.917 . . . . 0.0 110.279 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -123.54 135.43 54.01 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.262 -0.899 . . . . 0.0 110.18 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 658' ' ' VAL . . . . . . . . . . . . . 14.5 p -76.4 158.54 5.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.265 -0.897 . . . . 0.0 110.213 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 27.1 t30 53.84 57.59 5.89 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.285 -0.884 . . . . 0.0 110.136 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 660' ' ' THR . . . . . 0.472 HG23 ' N ' ' A' ' 661' ' ' ALA . 62.2 m -138.05 169.35 17.95 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.305 -0.872 . . . . 0.0 110.38 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . 0.472 ' N ' HG23 ' A' ' 660' ' ' THR . . . -112.03 115.34 28.75 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.29 -0.881 . . . . 0.0 110.251 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 662' ' ' TYR . . . . . 0.447 ' HB3' ' SG ' ' A' ' 677' ' ' CYS . 20.0 m-85 -109.26 155.14 21.49 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.272 -0.892 . . . . 0.0 110.065 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.64 -167.31 1.45 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.227 -0.92 . . . . 0.0 110.368 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 664' ' ' ALA . . . . . 0.456 ' HA ' ' N ' ' A' ' 679' ' ' GLN . . . -90.32 63.74 5.78 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.244 -0.91 . . . . 0.0 110.518 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 155.89 36.79 0.02 OUTLIER Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.72 -1.352 . . . . 0.0 109.72 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . 0.463 ' HB2' ' CB ' ' A' ' 677' ' ' CYS . 1.0 OUTLIER -90.66 -177.18 4.94 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.175 -1.191 . . . . 0.0 110.361 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 48.6 mt -143.64 91.98 2.3 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.277 -0.889 . . . . 0.0 110.189 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 668' ' ' VAL . . . . . 0.428 ' C ' HG22 ' A' ' 669' ' ' THR . 2.8 m -100.55 168.7 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.297 -0.877 . . . . 0.0 110.224 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 669' ' ' THR . . . . . 0.472 ' HA ' ' O ' ' A' ' 673' ' ' LYS . 24.0 p -140.91 117.07 10.59 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.134 -0.979 . . . . 0.0 109.901 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 670' ' ' TYR . . . . . 0.613 ' CE2' ' CD2' ' A' ' 656' ' ' TRP . 89.4 m-85 -84.29 96.37 9.0 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.944 -1.097 . . . . 0.0 110.225 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . 0.454 ' HB2' ' O ' ' A' ' 670' ' ' TYR . 2.0 m-80 57.99 -82.21 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.369 -0.832 . . . . 0.0 109.997 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 672' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 670' ' ' TYR . . . -126.2 32.27 3.81 Favored Glycine 0 N--CA 1.489 2.176 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 673' ' ' LYS . . . . . 0.472 ' O ' ' HA ' ' A' ' 669' ' ' THR . 3.9 mttt -124.95 148.02 48.59 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.143 -1.21 . . . . 0.0 110.239 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 674' ' ' THR . . . . . 0.484 ' O ' ' HB2' ' A' ' 698' ' ' LEU . 95.5 m -106.72 121.3 44.08 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.348 -0.845 . . . . 0.0 110.362 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 675' ' ' TYR . . . . . 0.569 ' CE2' ' HB3' ' A' ' 698' ' ' LEU . 25.9 m-85 -130.28 160.52 33.65 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.275 -0.89 . . . . 0.0 110.529 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' ' 697' ' ' GLN . 0.2 OUTLIER -140.44 131.9 26.93 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.334 -0.854 . . . . 0.0 109.76 179.352 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . 0.52 ' O ' ' N ' ' A' ' 665' ' ' GLY . 0.5 OUTLIER -75.76 136.75 40.29 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.22 -0.925 . . . . 0.0 110.141 -179.754 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.474 ' CD2' ' HG3' ' A' ' 676' ' ' LYS . 0.8 OUTLIER -117.33 -5.24 11.3 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.284 -0.885 . . . . 0.0 110.136 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 679' ' ' GLN . . . . . 0.509 ' HB3' ' CD2' ' A' ' 681' ' ' HIS . 4.0 tt0 -142.94 143.42 25.16 Favored Pre-proline 0 N--CA 1.492 1.671 0 O-C-N 121.239 -0.913 . . . . 0.0 110.162 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 680' ' ' PRO . . . . . 0.519 ' O ' ' ND1' ' A' ' 681' ' ' HIS . 2.9 Cg_endo -61.79 101.36 0.22 Allowed 'Trans proline' 0 C--N 1.313 -1.29 0 O-C-N 123.5 1.263 . . . . 0.0 110.589 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 681' ' ' HIS . . . . . 0.519 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 11.3 m-70 -144.86 -169.3 3.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.189 -0.944 . . . . 0.0 110.26 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 33.9 m -131.07 127.05 37.42 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.319 -0.863 . . . . 0.0 110.207 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 28.9 m -71.74 146.72 47.95 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.248 -0.908 . . . . 0.0 110.235 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 686' ' ' GLY . 1.1 pt? -150.24 173.96 13.36 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.166 -0.959 . . . . 0.0 110.38 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -63.69 72.16 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.231 -0.918 . . . . 0.0 110.308 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 686' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 177.36 -31.99 0.08 OUTLIER Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -88.64 39.34 0.91 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.22 -1.165 . . . . 0.0 110.379 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 688' ' ' GLU . . . . . 0.577 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.7 mt-10 -89.34 -49.0 0.4 Allowed Pre-proline 0 N--CA 1.493 1.713 0 O-C-N 121.161 -0.962 . . . . 0.0 110.523 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 689' ' ' PRO . . . . . 0.577 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.3 Cg_endo -71.32 -2.56 11.41 Favored 'Trans proline' 0 C--N 1.315 -1.231 0 O-C-N 123.16 1.084 . . . . 0.0 110.38 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 690' ' ' SER . . . . . 0.487 ' OG ' ' O ' ' A' ' 690' ' ' SER . 1.4 p 69.9 62.04 0.25 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.446 -0.784 . . . . 0.0 109.808 -179.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -79.41 1.83 23.98 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.21 -0.932 . . . . 0.0 110.735 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 692' ' ' VAL . . . . . 0.525 HG22 ' CD1' ' A' ' 695' ' ' LEU . 29.3 m -135.17 77.23 55.65 Favored Pre-proline 0 N--CA 1.494 1.729 0 O-C-N 121.14 -0.975 . . . . 0.0 110.032 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -59.78 -26.28 81.77 Favored 'Trans proline' 0 C--N 1.311 -1.406 0 O-C-N 123.691 1.364 . . . . 0.0 110.732 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -51.34 -25.28 5.74 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.186 -0.946 . . . . 0.0 110.034 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 695' ' ' LEU . . . . . 0.564 HD12 ' CG ' ' A' ' 696' ' ' TRP . 4.0 pp -128.08 -16.93 4.45 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.298 -0.877 . . . . 0.0 110.643 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 696' ' ' TRP . . . . . 0.564 ' CG ' HD12 ' A' ' 695' ' ' LEU . 0.3 OUTLIER -104.15 94.0 5.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.032 -1.043 . . . . 0.0 110.156 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 697' ' ' GLN . . . . . 0.476 ' O ' ' HG2' ' A' ' 676' ' ' LYS . 2.4 tp60 -99.81 113.23 25.6 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.17 -0.956 . . . . 0.0 109.891 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . 0.569 ' HB3' ' CE2' ' A' ' 675' ' ' TYR . 1.1 pp -104.32 -169.99 1.7 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.157 -0.965 . . . . 0.0 110.698 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 699' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.379 -0.825 . . . . 0.0 110.082 179.718 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . 0.457 ' HA ' ' OG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.256 0.55 . . . . 0.0 110.248 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 656' ' ' TRP . . . . . 0.686 ' CD2' ' CE2' ' A' ' 670' ' ' TYR . 73.6 t90 -60.86 145.24 50.79 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.216 -0.928 . . . . 0.0 110.23 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -137.67 133.23 34.01 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.22 -0.925 . . . . 0.0 110.233 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 658' ' ' VAL . . . . . 0.491 HG13 ' CZ3' ' A' ' 656' ' ' TRP . 17.5 m -60.64 154.3 4.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.246 -0.909 . . . . 0.0 110.301 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 659' ' ' ASN . . . . . 0.45 ' HB2' ' O ' ' A' ' 658' ' ' VAL . 12.1 m120 56.55 55.67 6.26 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.303 -0.873 . . . . 0.0 110.211 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 660' ' ' THR . . . . . 0.425 ' O ' ' OG ' ' A' ' 683' ' ' SER . 89.5 m -139.78 124.49 18.36 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.197 -0.939 . . . . 0.0 110.397 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -71.82 130.04 40.11 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.313 -0.867 . . . . 0.0 110.27 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 662' ' ' TYR . . . . . 0.496 ' CE2' ' OG ' ' A' ' 683' ' ' SER . 10.8 m-85 -122.23 166.07 15.2 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.194 -0.941 . . . . 0.0 109.881 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.82 -167.47 1.19 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.183 -0.948 . . . . 0.0 110.353 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 664' ' ' ALA . . . . . 0.461 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -86.91 127.92 35.06 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.335 -0.853 . . . . 0.0 110.409 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 81.46 38.46 14.55 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.792 -1.323 . . . . 0.0 109.792 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . 0.457 ' O ' ' HA ' ' A' ' 676' ' ' LYS . 0.0 OUTLIER -88.18 174.43 8.23 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.182 -1.187 . . . . 0.0 109.885 179.812 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -133.23 89.17 2.57 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.176 -0.952 . . . . 0.0 110.543 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 668' ' ' VAL . . . . . 0.457 HG23 ' CE1' ' A' ' 670' ' ' TYR . 3.0 m -100.01 167.92 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.178 -0.951 . . . . 0.0 109.696 179.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 669' ' ' THR . . . . . 0.465 ' HA ' ' O ' ' A' ' 673' ' ' LYS . 1.3 p -140.39 114.06 8.78 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.087 -1.008 . . . . 0.0 110.194 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 670' ' ' TYR . . . . . 0.686 ' CE2' ' CD2' ' A' ' 656' ' ' TRP . 77.0 m-85 -83.3 -159.45 0.35 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.257 -0.902 . . . . 0.0 109.86 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -46.3 93.81 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.113 -0.992 . . . . 0.0 109.725 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 672' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 670' ' ' TYR . . . 50.16 24.98 7.34 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.072 -1.611 . . . . 0.0 109.072 -179.428 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 673' ' ' LYS . . . . . 0.465 ' O ' ' HA ' ' A' ' 669' ' ' THR . 0.1 OUTLIER -109.26 142.46 40.08 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.354 -1.086 . . . . 0.0 110.571 -179.687 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 674' ' ' THR . . . . . . . . . . . . . 2.8 m -101.33 116.69 33.37 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.412 -0.805 . . . . 0.0 109.593 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 675' ' ' TYR . . . . . 0.574 ' CE2' ' HB3' ' A' ' 698' ' ' LEU . 19.1 m-85 -130.05 157.74 41.53 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.987 -1.071 . . . . 0.0 111.214 -179.129 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . 0.507 ' CD ' ' HB3' ' A' ' 697' ' ' GLN . 0.0 OUTLIER -140.9 126.69 19.16 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.527 -0.733 . . . . 0.0 109.417 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.77 160.51 28.34 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.144 -0.973 . . . . 0.0 110.359 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.457 ' O ' ' HB2' ' A' ' 664' ' ' ALA . 0.9 OUTLIER -124.29 -28.84 3.62 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.24 -0.912 . . . . 0.0 110.692 -179.876 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 679' ' ' GLN . . . . . 0.518 ' HB3' ' NE2' ' A' ' 681' ' ' HIS . 42.8 mm-40 -126.74 146.44 57.12 Favored Pre-proline 0 N--CA 1.493 1.715 0 O-C-N 121.153 -0.967 . . . . 0.0 110.557 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 680' ' ' PRO . . . . . 0.53 ' O ' ' ND1' ' A' ' 681' ' ' HIS . 3.0 Cg_exo -62.94 116.0 3.29 Favored 'Trans proline' 0 C--N 1.314 -1.263 0 O-C-N 123.632 1.333 . . . . 0.0 110.89 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 681' ' ' HIS . . . . . 0.53 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 89.2 m-70 -155.42 -156.58 0.66 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.232 -0.917 . . . . 0.0 110.258 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 682' ' ' THR . . . . . 0.571 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 20.6 m -131.4 127.84 38.34 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.22 -0.925 . . . . 0.0 110.299 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 683' ' ' SER . . . . . 0.496 ' OG ' ' CE2' ' A' ' 662' ' ' TYR . 0.0 OUTLIER -85.24 138.93 32.02 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.32 -0.863 . . . . 0.0 109.762 179.63 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . 0.462 HD23 ' O ' ' A' ' 684' ' ' LEU . 0.7 OUTLIER -141.77 -178.25 5.58 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.321 -0.862 . . . . 0.0 110.693 -179.716 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -64.4 74.91 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.362 -0.836 . . . . 0.0 110.229 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 686' ' ' GLY . . . . . 0.46 ' O ' ' HD2' ' A' ' 689' ' ' PRO . . . 174.72 -32.46 0.1 OUTLIER Glycine 0 N--CA 1.487 2.099 0 N-CA-C 109.44 -1.464 . . . . 0.0 109.44 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 687' ' ' TRP . . . . . 0.571 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 40.7 m0 -85.68 30.89 0.62 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.241 -1.152 . . . . 0.0 110.399 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 688' ' ' GLU . . . . . 0.603 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 2.6 mt-10 -87.38 -47.01 0.49 Allowed Pre-proline 0 N--CA 1.494 1.74 0 O-C-N 120.965 -1.085 . . . . 0.0 110.642 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 689' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.6 Cg_endo -70.65 -0.82 8.24 Favored 'Trans proline' 0 C--N 1.315 -1.215 0 O-C-N 123.173 1.091 . . . . 0.0 110.515 179.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 690' ' ' SER . . . . . 0.471 ' OG ' ' O ' ' A' ' 690' ' ' SER . 2.3 p 61.68 56.62 2.43 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.229 -0.919 . . . . 0.0 109.74 -179.412 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 691' ' ' ASN . . . . . 0.426 ' O ' HG13 ' A' ' 692' ' ' VAL . 6.7 m-20 -79.72 4.05 17.45 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.22 -0.925 . . . . 0.0 110.501 -179.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 692' ' ' VAL . . . . . 0.523 HG23 ' CD1' ' A' ' 695' ' ' LEU . 18.2 m -138.06 82.53 24.7 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.066 -1.021 . . . . 0.0 110.47 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -60.89 -17.39 50.69 Favored 'Trans proline' 0 C--N 1.312 -1.375 0 O-C-N 123.628 1.331 . . . . 0.0 110.386 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -52.81 -35.95 57.76 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.265 -0.897 . . . . 0.0 109.931 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 695' ' ' LEU . . . . . 0.535 ' CD1' ' CD1' ' A' ' 696' ' ' TRP . 1.3 pp -127.44 -4.49 6.03 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.307 -0.871 . . . . 0.0 110.057 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 696' ' ' TRP . . . . . 0.535 ' CD1' ' CD1' ' A' ' 695' ' ' LEU . 1.1 m95 -116.44 89.63 3.15 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.19 -0.944 . . . . 0.0 110.358 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 697' ' ' GLN . . . . . 0.507 ' HB3' ' CD ' ' A' ' 676' ' ' LYS . 0.9 OUTLIER -99.17 113.21 25.34 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.153 -0.967 . . . . 0.0 109.422 179.61 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . 0.574 ' HB3' ' CE2' ' A' ' 675' ' ' TYR . 0.6 OUTLIER -91.5 177.54 6.2 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.24 -0.912 . . . . 0.0 110.852 -179.258 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 699' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 698' ' ' LEU . 30.5 mt-30 . . . . . 0 N--CA 1.492 1.625 0 O-C-N 121.551 -0.718 . . . . 0.0 110.214 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . 0.479 ' HA ' ' OG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.169 0.509 . . . . 0.0 110.207 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 656' ' ' TRP . . . . . 0.635 ' CD2' ' CE1' ' A' ' 670' ' ' TYR . 56.6 t90 -55.23 151.39 9.65 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.163 -0.961 . . . . 0.0 110.051 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -127.3 139.52 52.83 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.267 -0.896 . . . . 0.0 110.109 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 658' ' ' VAL . . . . . 0.493 ' HA ' ' CZ2' ' A' ' 656' ' ' TRP . 13.9 p -77.92 158.76 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.143 -0.973 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 50.68 56.07 8.54 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.27 -0.894 . . . . 0.0 109.998 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 50.7 m -135.72 164.24 28.33 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.219 -0.925 . . . . 0.0 110.425 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -106.12 115.52 30.37 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.302 -0.874 . . . . 0.0 110.086 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -111.68 154.18 25.33 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.175 -0.953 . . . . 0.0 110.368 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 1.3 p -102.13 178.69 4.53 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.283 -0.886 . . . . 0.0 109.996 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 664' ' ' ALA . . . . . 0.536 ' CB ' ' HD3' ' A' ' 680' ' ' PRO . . . -77.07 125.65 29.67 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.16 -0.962 . . . . 0.0 110.166 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 93.53 30.01 9.53 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . 0.522 ' CB ' ' HB2' ' A' ' 677' ' ' CYS . 0.9 OUTLIER -90.2 174.54 7.56 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.321 -1.106 . . . . 0.0 110.143 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 2.5 tt -132.74 102.96 5.87 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.267 -0.896 . . . . 0.0 110.286 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 668' ' ' VAL . . . . . 0.495 HG23 ' CH2' ' A' ' 696' ' ' TRP . 2.9 m -111.31 171.71 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.252 -0.905 . . . . 0.0 109.973 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 669' ' ' THR . . . . . 0.479 ' OG1' ' HA ' ' A' ' 655' ' ' ALA . 1.4 p -140.63 124.06 16.86 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.135 -0.978 . . . . 0.0 109.877 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 670' ' ' TYR . . . . . 0.635 ' CE1' ' CD2' ' A' ' 656' ' ' TRP . 27.0 m-85 -99.03 93.92 6.25 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.027 -1.045 . . . . 0.0 110.923 -179.446 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 2.4 m120 42.76 82.62 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.261 -0.9 . . . . 0.0 111.012 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . 73.02 -0.38 46.67 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 673' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 670' ' ' TYR . 22.8 mmtt -104.1 149.47 25.18 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.941 -1.329 . . . . 0.0 110.385 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 674' ' ' THR . . . . . 0.414 ' O ' HD12 ' A' ' 698' ' ' LEU . 52.2 m -115.26 115.63 26.98 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.225 -0.922 . . . . 0.0 110.276 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 675' ' ' TYR . . . . . 0.574 ' CE1' ' CB ' ' A' ' 690' ' ' SER . 28.6 m-85 -124.22 167.15 14.68 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.288 -0.882 . . . . 0.0 110.224 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 697' ' ' GLN . 1.7 mptt -140.08 124.73 18.18 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.26 -0.9 . . . . 0.0 110.064 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . 0.522 ' HB2' ' CB ' ' A' ' 666' ' ' GLN . 0.1 OUTLIER -67.18 142.46 57.0 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.255 -0.903 . . . . 0.0 110.341 -179.765 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.432 ' O ' ' HB2' ' A' ' 664' ' ' ALA . 2.1 tt -116.21 -23.45 8.41 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.264 -0.897 . . . . 0.0 110.268 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -132.16 142.09 43.79 Favored Pre-proline 0 N--CA 1.492 1.636 0 O-C-N 121.189 -0.944 . . . . 0.0 110.423 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 680' ' ' PRO . . . . . 0.536 ' HD3' ' CB ' ' A' ' 664' ' ' ALA . 2.8 Cg_endo -64.36 104.15 0.5 Allowed 'Trans proline' 0 C--N 1.313 -1.308 0 O-C-N 123.57 1.3 . . . . 0.0 110.463 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 681' ' ' HIS . . . . . 0.512 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 19.1 m-70 -149.38 -163.17 1.72 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.31 -0.869 . . . . 0.0 110.301 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 98.5 m -119.02 135.22 54.74 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.22 -0.925 . . . . 0.0 110.586 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 5.9 p -87.51 139.03 30.96 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.243 -0.911 . . . . 0.0 109.582 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . 0.516 ' CD2' ' N ' ' A' ' 684' ' ' LEU . 1.8 pt? -147.74 172.06 14.69 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.19 -0.944 . . . . 0.0 111.001 -179.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -60.51 77.38 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.504 -0.747 . . . . 0.0 109.973 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 686' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 175.55 -43.44 0.12 Allowed Glycine 0 N--CA 1.487 2.074 0 N-CA-C 108.424 -1.87 . . . . 0.0 108.424 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 44.7 m0 -87.97 32.58 0.74 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.35 -1.088 . . . . 0.0 109.918 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 688' ' ' GLU . . . . . 0.616 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.6 mt-10 -88.56 -46.38 0.45 Allowed Pre-proline 0 N--CA 1.495 1.803 0 O-C-N 121.38 -0.825 . . . . 0.0 111.041 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 689' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.9 Cg_endo -68.1 -6.31 16.88 Favored 'Trans proline' 0 C--N 1.315 -1.204 0 O-C-N 123.239 1.126 . . . . 0.0 110.242 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 690' ' ' SER . . . . . 0.574 ' CB ' ' CE1' ' A' ' 675' ' ' TYR . 1.2 p 67.03 41.39 2.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.392 -0.818 . . . . 0.0 110.044 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 691' ' ' ASN . . . . . 0.458 ' OD1' HG13 ' A' ' 692' ' ' VAL . 19.0 p30 -79.7 4.95 14.64 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.224 -0.923 . . . . 0.0 110.166 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 692' ' ' VAL . . . . . 0.483 ' O ' HG21 ' A' ' 692' ' ' VAL . 16.8 m -125.18 78.88 66.6 Favored Pre-proline 0 N--CA 1.491 1.625 0 O-C-N 121.229 -0.92 . . . . 0.0 110.275 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -60.41 -16.4 41.43 Favored 'Trans proline' 0 C--N 1.311 -1.429 0 O-C-N 123.616 1.324 . . . . 0.0 110.554 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -56.46 -35.56 68.05 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.207 -0.933 . . . . 0.0 110.279 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 695' ' ' LEU . . . . . 0.561 ' CD2' ' O ' ' A' ' 695' ' ' LEU . 0.0 OUTLIER -122.38 -10.9 8.41 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.291 -0.881 . . . . 0.0 110.318 -179.727 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 696' ' ' TRP . . . . . 0.549 ' HA ' ' CE3' ' A' ' 696' ' ' TRP . 0.2 OUTLIER -99.48 145.9 26.95 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.136 -0.977 . . . . 0.0 110.44 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 697' ' ' GLN . . . . . 0.466 ' O ' ' HB2' ' A' ' 676' ' ' LYS . 8.8 tt0 -134.48 82.2 1.95 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.414 -0.804 . . . . 0.0 109.718 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . 0.536 ' HB2' ' CE1' ' A' ' 675' ' ' TYR . 35.2 tp -58.24 152.67 16.74 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.29 -0.881 . . . . 0.0 110.483 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 699' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 698' ' ' LEU . 11.6 mm100 . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.339 -0.851 . . . . 0.0 110.192 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . 0.479 ' HA ' ' OG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 121.231 0.538 . . . . 0.0 110.158 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 656' ' ' TRP . . . . . 0.656 ' CD2' ' CE2' ' A' ' 670' ' ' TYR . 51.9 t90 -58.9 150.9 23.0 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.246 -0.909 . . . . 0.0 110.237 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 657' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 658' ' ' VAL . 45.5 mt-30 -146.88 101.28 3.42 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.29 -0.881 . . . . 0.0 110.205 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 658' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 657' ' ' GLN . 2.7 p -43.17 148.27 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.109 -0.995 . . . . 0.0 110.18 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 2.9 t30 61.65 59.73 1.76 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.215 -0.928 . . . . 0.0 109.876 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 3.2 m -139.01 159.54 41.9 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.115 -0.991 . . . . 0.0 110.447 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -101.22 103.4 14.42 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.349 -0.844 . . . . 0.0 109.91 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -99.79 140.99 33.19 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.224 -0.922 . . . . 0.0 110.282 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 663' ' ' THR . . . . . 0.441 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 31.4 p -102.11 158.65 16.01 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.289 -0.882 . . . . 0.0 109.931 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 664' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 678' ' ' LEU . . . -49.64 140.3 11.31 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.212 -0.93 . . . . 0.0 110.384 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 73.4 30.59 62.24 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.774 -1.331 . . . . 0.0 109.774 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . 0.525 ' HB2' ' CB ' ' A' ' 677' ' ' CYS . 0.4 OUTLIER -84.45 -175.41 5.77 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.214 -1.168 . . . . 0.0 110.112 179.768 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 7.3 mt -147.87 109.05 4.28 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.119 -0.988 . . . . 0.0 110.497 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 668' ' ' VAL . . . . . . . . . . . . . 3.0 m -120.69 163.27 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.273 -0.892 . . . . 0.0 109.856 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 669' ' ' THR . . . . . 0.479 ' OG1' ' HA ' ' A' ' 655' ' ' ALA . 30.9 p -139.86 121.76 15.55 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.981 -1.074 . . . . 0.0 110.123 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 670' ' ' TYR . . . . . 0.656 ' CE2' ' CD2' ' A' ' 656' ' ' TRP . 66.5 m-85 -91.86 102.43 15.02 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.081 -1.012 . . . . 0.0 110.504 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . 0.456 ' HB3' ' O ' ' A' ' 670' ' ' TYR . 42.1 t30 57.57 -80.76 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.333 -0.855 . . . . 0.0 110.345 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 672' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 670' ' ' TYR . . . -131.62 30.21 3.3 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.308 -1.517 . . . . 0.0 109.308 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 673' ' ' LYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 669' ' ' THR . 11.7 mttt -119.27 143.49 47.3 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.246 -1.149 . . . . 0.0 110.504 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 674' ' ' THR . . . . . 0.428 ' HB ' ' CG ' ' A' ' 699' ' ' GLN . 1.1 m -101.87 122.46 44.03 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.5 -0.75 . . . . 0.0 109.827 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 675' ' ' TYR . . . . . 0.63 ' CE1' ' CB ' ' A' ' 690' ' ' SER . 22.8 m-85 -130.86 151.15 51.59 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.208 -0.933 . . . . 0.0 110.776 -179.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' A' ' 697' ' ' GLN . 0.0 OUTLIER -132.41 134.3 44.96 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.467 -0.771 . . . . 0.0 109.515 179.495 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . 0.525 ' CB ' ' HB2' ' A' ' 666' ' ' GLN . 0.1 OUTLIER -85.39 148.34 26.06 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.25 -0.907 . . . . 0.0 110.271 -179.627 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.448 ' O ' ' HB3' ' A' ' 664' ' ' ALA . 0.2 OUTLIER -118.31 -18.92 9.13 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.278 -0.888 . . . . 0.0 110.189 179.855 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -131.6 145.83 59.28 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.209 -0.932 . . . . 0.0 110.247 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 680' ' ' PRO . . . . . 0.441 ' HA ' ' HA ' ' A' ' 663' ' ' THR . 2.9 Cg_endo -61.58 94.68 0.12 Allowed 'Trans proline' 0 C--N 1.311 -1.423 0 O-C-N 123.641 1.338 . . . . 0.0 110.412 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 681' ' ' HIS . . . . . . . . . . . . . 18.2 m80 -136.3 164.29 28.43 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.241 -0.912 . . . . 0.0 110.179 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 682' ' ' THR . . . . . 0.428 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 22.6 m -103.79 125.34 50.17 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.311 -0.868 . . . . 0.0 110.364 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 683' ' ' SER . . . . . 0.482 ' OG ' ' NE1' ' A' ' 656' ' ' TRP . 12.0 t -68.93 141.29 55.04 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.33 -0.856 . . . . 0.0 110.002 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . 0.536 ' CD2' ' N ' ' A' ' 684' ' ' LEU . 0.6 OUTLIER -152.7 179.38 8.67 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.174 -0.954 . . . . 0.0 110.757 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -60.24 84.7 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.416 -0.803 . . . . 0.0 110.039 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 686' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 163.09 -39.92 0.34 Allowed Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 687' ' ' TRP . . . . . 0.428 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 51.5 m0 -88.91 37.87 0.86 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.174 -1.192 . . . . 0.0 110.058 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 688' ' ' GLU . . . . . 0.581 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.4 mt-10 -89.35 -49.0 0.4 Allowed Pre-proline 0 N--CA 1.493 1.71 0 O-C-N 121.322 -0.861 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 689' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.4 Cg_endo -71.81 -2.63 11.75 Favored 'Trans proline' 0 C--N 1.316 -1.177 0 O-C-N 123.231 1.121 . . . . 0.0 110.036 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 690' ' ' SER . . . . . 0.63 ' CB ' ' CE1' ' A' ' 675' ' ' TYR . 4.7 p 58.07 56.89 4.33 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.351 -0.843 . . . . 0.0 109.474 -179.153 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -89.38 24.05 2.35 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.471 -0.768 . . . . 0.0 110.844 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 692' ' ' VAL . . . . . 0.421 ' O ' ' HB2' ' A' ' 696' ' ' TRP . 2.1 m -139.93 88.58 11.85 Favored Pre-proline 0 N--CA 1.492 1.634 0 O-C-N 121.143 -0.973 . . . . 0.0 110.163 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -61.81 -11.16 19.65 Favored 'Trans proline' 0 C--N 1.314 -1.249 0 O-C-N 123.795 1.418 . . . . 0.0 110.75 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -62.84 -33.29 74.93 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.226 -0.921 . . . . 0.0 110.476 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 695' ' ' LEU . . . . . 0.545 ' CD1' ' CD1' ' A' ' 696' ' ' TRP . 3.5 pp -140.21 10.33 2.33 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.028 -1.045 . . . . 0.0 110.925 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 696' ' ' TRP . . . . . 0.549 ' HA ' ' CE3' ' A' ' 696' ' ' TRP . 0.4 OUTLIER -130.39 88.85 2.69 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.935 -1.103 . . . . 0.0 110.936 -179.736 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 697' ' ' GLN . . . . . 0.459 ' O ' ' HG2' ' A' ' 676' ' ' LYS . 2.0 tp-100 -99.83 115.29 29.24 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.199 -0.938 . . . . 0.0 109.385 179.144 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . 0.57 ' HB3' ' CE1' ' A' ' 675' ' ' TYR . 0.9 OUTLIER -89.82 -175.16 4.54 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.075 -1.016 . . . . 0.0 110.91 -179.189 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 699' ' ' GLN . . . . . 0.442 ' N ' HD12 ' A' ' 698' ' ' LEU . 1.9 pt20 . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.555 -0.715 . . . . 0.0 110.07 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . 0.44 ' N ' ' OG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.279 0.561 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 656' ' ' TRP . . . . . 0.667 ' CD2' ' CE2' ' A' ' 670' ' ' TYR . 57.9 t90 -73.04 138.26 45.83 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.278 -0.889 . . . . 0.0 110.143 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 657' ' ' GLN . . . . . 0.427 ' HG2' ' C ' ' A' ' 656' ' ' TRP . 1.9 mt-30 -127.06 131.32 50.94 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.178 -0.951 . . . . 0.0 110.299 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 658' ' ' VAL . . . . . . . . . . . . . 5.7 m -69.59 166.97 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.232 -0.917 . . . . 0.0 109.952 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 49.22 50.58 17.78 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.132 -0.98 . . . . 0.0 109.75 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 660' ' ' THR . . . . . 0.496 HG22 ' N ' ' A' ' 661' ' ' ALA . 55.2 m -133.57 168.44 18.65 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.189 -0.944 . . . . 0.0 110.413 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . 0.496 ' N ' HG22 ' A' ' 660' ' ' THR . . . -117.24 106.32 13.17 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.282 -0.886 . . . . 0.0 110.018 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -101.13 155.72 17.84 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.228 -0.92 . . . . 0.0 110.319 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 663' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 62.5 p -100.8 -173.21 2.33 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.232 -0.918 . . . . 0.0 110.297 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 664' ' ' ALA . . . . . 0.432 ' HB2' ' HA ' ' A' ' 679' ' ' GLN . . . -81.36 124.95 29.81 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.296 -0.878 . . . . 0.0 110.172 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 89.92 27.8 20.33 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -87.93 172.2 9.76 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.163 -1.198 . . . . 0.0 110.05 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -130.65 127.85 39.77 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.095 -1.003 . . . . 0.0 110.445 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 668' ' ' VAL . . . . . 0.515 ' CG2' ' HB2' ' A' ' 675' ' ' TYR . 3.0 m -135.25 171.11 18.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.435 -0.791 . . . . 0.0 109.955 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 669' ' ' THR . . . . . 0.479 ' HA ' ' O ' ' A' ' 673' ' ' LYS . 17.4 p -140.62 119.15 12.28 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.197 -0.94 . . . . 0.0 110.157 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 670' ' ' TYR . . . . . 0.667 ' CE2' ' CD2' ' A' ' 656' ' ' TRP . 79.7 m-85 -88.87 80.6 7.1 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.099 -1.001 . . . . 0.0 110.454 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 5.6 m120 45.25 83.43 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.417 -0.802 . . . . 0.0 110.956 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . 82.8 -14.66 35.76 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 110.13 -1.188 . . . . 0.0 110.13 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 673' ' ' LYS . . . . . 0.479 ' O ' ' HA ' ' A' ' 669' ' ' THR . 11.3 mmtt -100.01 155.28 17.79 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.071 -1.252 . . . . 0.0 110.048 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 674' ' ' THR . . . . . . . . . . . . . 1.6 m -124.19 130.87 53.28 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.343 -0.848 . . . . 0.0 110.3 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 675' ' ' TYR . . . . . 0.515 ' HB2' ' CG2' ' A' ' 668' ' ' VAL . 20.4 m-85 -131.01 167.57 18.83 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.227 -0.921 . . . . 0.0 110.007 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 697' ' ' GLN . 3.0 mptt -138.63 101.04 4.24 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.177 -0.952 . . . . 0.0 110.604 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.89 146.91 16.33 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.187 -0.946 . . . . 0.0 109.89 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -127.98 -5.36 5.62 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.234 -0.916 . . . . 0.0 110.521 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 679' ' ' GLN . . . . . 0.432 ' HA ' ' HB2' ' A' ' 664' ' ' ALA . 2.0 tt0 -144.01 143.8 24.11 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.108 -0.995 . . . . 0.0 110.371 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 680' ' ' PRO . . . . . 0.501 ' O ' ' ND1' ' A' ' 681' ' ' HIS . 2.9 Cg_endo -63.68 94.1 0.18 Allowed 'Trans proline' 0 C--N 1.315 -1.237 0 O-C-N 123.558 1.294 . . . . 0.0 110.82 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 681' ' ' HIS . . . . . 0.501 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 4.7 m-70 -138.61 179.76 6.28 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.227 -0.921 . . . . 0.0 109.792 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 49.4 m -117.36 131.71 56.73 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.175 -0.953 . . . . 0.0 110.452 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.63 148.77 27.78 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.297 -0.877 . . . . 0.0 109.88 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . 0.492 ' CD2' ' N ' ' A' ' 684' ' ' LEU . 0.6 OUTLIER -147.91 -176.24 5.2 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.269 -0.894 . . . . 0.0 110.496 -179.881 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -67.3 81.8 0.14 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.294 -0.879 . . . . 0.0 110.13 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 686' ' ' GLY . . . . . 0.413 ' O ' ' HD2' ' A' ' 689' ' ' PRO . . . 162.13 -29.43 0.28 Allowed Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.743 -1.343 . . . . 0.0 109.743 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 28.5 m0 -86.7 32.79 0.65 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.148 -1.207 . . . . 0.0 110.373 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 688' ' ' GLU . . . . . 0.596 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.4 mt-10 -88.92 -47.01 0.43 Allowed Pre-proline 0 N--CA 1.496 1.837 0 O-C-N 121.182 -0.949 . . . . 0.0 111.109 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 689' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.8 Cg_endo -68.76 -3.9 12.2 Favored 'Trans proline' 0 C--N 1.313 -1.309 0 O-C-N 123.186 1.098 . . . . 0.0 110.683 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 690' ' ' SER . . . . . 0.505 ' OG ' ' O ' ' A' ' 690' ' ' SER . 1.3 p 69.34 57.28 0.36 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.414 -0.804 . . . . 0.0 110.171 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 691' ' ' ASN . . . . . 0.415 ' C ' ' HD3' ' A' ' 693' ' ' PRO . 48.7 m-20 -79.42 -14.29 59.03 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.977 -1.077 . . . . 0.0 110.428 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 692' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 692' ' ' VAL . 19.7 m -116.27 76.76 7.0 Favored Pre-proline 0 N--CA 1.492 1.657 0 O-C-N 121.302 -0.874 . . . . 0.0 110.07 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 693' ' ' PRO . . . . . 0.415 ' HD3' ' C ' ' A' ' 691' ' ' ASN . 3.1 Cg_exo -58.69 -21.16 54.48 Favored 'Trans proline' 0 C--N 1.309 -1.51 0 O-C-N 123.618 1.325 . . . . 0.0 110.345 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -51.54 -44.3 62.6 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.19 -0.944 . . . . 0.0 110.029 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 695' ' ' LEU . . . . . 0.578 HD13 ' CG ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -109.5 -12.39 14.7 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.198 -0.939 . . . . 0.0 109.995 179.854 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 696' ' ' TRP . . . . . 0.578 ' CG ' HD13 ' A' ' 695' ' ' LEU . 0.6 OUTLIER -99.33 108.25 20.73 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.093 -1.004 . . . . 0.0 109.824 179.505 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 697' ' ' GLN . . . . . 0.483 ' O ' ' HB2' ' A' ' 676' ' ' LYS . 4.8 tp60 -102.54 84.29 2.41 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.213 -0.929 . . . . 0.0 110.317 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . . . . . . . . . 16.3 tp -58.0 151.81 17.74 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.214 -0.929 . . . . 0.0 110.097 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 699' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.258 -0.901 . . . . 0.0 110.251 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . 0.518 ' N ' ' OG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 121.186 0.517 . . . . 0.0 110.22 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 656' ' ' TRP . . . . . 0.687 ' CD2' ' CE2' ' A' ' 670' ' ' TYR . 84.1 t90 -64.62 117.4 7.36 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.281 -0.887 . . . . 0.0 110.317 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -103.82 123.11 46.5 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.26 -0.9 . . . . 0.0 110.079 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 658' ' ' VAL . . . . . 0.572 ' CG2' ' CZ3' ' A' ' 656' ' ' TRP . 57.4 t -57.9 146.34 7.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.184 -0.947 . . . . 0.0 110.197 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 7.7 t30 61.16 49.84 5.31 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.199 -0.938 . . . . 0.0 110.117 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 34.9 m -135.23 131.82 37.1 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.357 -0.839 . . . . 0.0 110.228 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -69.13 141.49 54.63 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.146 -0.971 . . . . 0.0 110.244 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -136.73 160.35 39.12 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.378 -0.826 . . . . 0.0 110.004 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 663' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 1.6 p -110.08 -177.61 3.3 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.174 -0.954 . . . . 0.0 110.076 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 664' ' ' ALA . . . . . 0.523 ' CB ' ' HD3' ' A' ' 680' ' ' PRO . . . -79.43 159.12 27.16 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.183 -0.948 . . . . 0.0 110.229 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 61.03 20.45 57.95 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.617 -1.393 . . . . 0.0 109.617 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . 0.457 ' HA ' ' OE1' ' A' ' 666' ' ' GLN . 0.0 OUTLIER -81.75 177.94 8.6 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.185 -1.185 . . . . 0.0 110.142 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 4.6 tt -142.76 104.29 4.33 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.105 -0.997 . . . . 0.0 110.333 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 668' ' ' VAL . . . . . . . . . . . . . 3.0 m -110.02 170.84 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.285 -0.885 . . . . 0.0 109.855 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 669' ' ' THR . . . . . 0.518 ' OG1' ' N ' ' A' ' 655' ' ' ALA . 3.2 p -140.09 116.04 10.34 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.046 -1.034 . . . . 0.0 110.276 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 670' ' ' TYR . . . . . 0.687 ' CE2' ' CD2' ' A' ' 656' ' ' TRP . 77.0 m-85 -84.19 -165.34 1.12 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.303 -0.873 . . . . 0.0 110.019 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -47.81 91.51 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.27 -0.893 . . . . 0.0 110.008 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 672' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 670' ' ' TYR . . . 56.95 27.78 57.21 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.269 -1.532 . . . . 0.0 109.269 -179.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 673' ' ' LYS . . . . . 0.477 ' HB2' ' HB2' ' A' ' 670' ' ' TYR . 1.6 mmtm -117.61 147.73 42.58 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.311 -1.111 . . . . 0.0 110.324 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 674' ' ' THR . . . . . . . . . . . . . 14.9 m -106.91 124.7 50.01 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.251 -0.905 . . . . 0.0 109.528 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 675' ' ' TYR . . . . . 0.522 ' HA ' ' HA ' ' A' ' 698' ' ' LEU . 14.3 m-85 -132.83 158.1 43.35 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.131 -0.981 . . . . 0.0 111.157 -179.399 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.42 114.72 11.66 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.478 -0.764 . . . . 0.0 109.948 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . 0.409 ' HB2' ' HB3' ' A' ' 666' ' ' GLN . 0.1 OUTLIER -65.34 136.57 56.71 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.266 -0.896 . . . . 0.0 110.288 -179.765 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -109.21 -14.25 14.52 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.223 -0.923 . . . . 0.0 110.153 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 679' ' ' GLN . . . . . 0.449 ' HA ' ' HB3' ' A' ' 664' ' ' ALA . 4.2 mt-30 -143.09 143.42 24.75 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.293 -0.879 . . . . 0.0 110.299 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 680' ' ' PRO . . . . . 0.523 ' HD3' ' CB ' ' A' ' 664' ' ' ALA . 3.0 Cg_endo -62.14 107.54 0.57 Allowed 'Trans proline' 0 C--N 1.312 -1.38 0 O-C-N 123.696 1.366 . . . . 0.0 110.724 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 681' ' ' HIS . . . . . 0.51 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 25.7 m-70 -143.99 -161.46 1.28 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.341 -0.85 . . . . 0.0 110.064 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 24.4 m -132.81 124.74 28.58 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.193 -0.942 . . . . 0.0 110.505 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 69.2 p -75.83 143.91 41.59 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.366 -0.834 . . . . 0.0 110.14 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . 0.474 HD23 ' O ' ' A' ' 684' ' ' LEU . 0.8 OUTLIER -146.44 176.44 9.8 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.211 -0.93 . . . . 0.0 110.649 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -63.83 74.15 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.312 -0.867 . . . . 0.0 110.244 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 686' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 173.65 -29.17 0.09 OUTLIER Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 25.8 m0 -85.65 31.54 0.6 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.201 -1.176 . . . . 0.0 110.37 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 688' ' ' GLU . . . . . 0.606 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 2.3 mt-10 -87.64 -47.8 0.47 Allowed Pre-proline 0 N--CA 1.495 1.791 0 O-C-N 121.137 -0.977 . . . . 0.0 110.372 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 689' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.7 Cg_endo -70.91 -3.44 12.78 Favored 'Trans proline' 0 C--N 1.313 -1.291 0 O-C-N 123.316 1.166 . . . . 0.0 110.058 179.534 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 690' ' ' SER . . . . . 0.481 ' OG ' ' O ' ' A' ' 689' ' ' PRO . 3.8 p 62.14 57.13 2.09 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.512 -0.743 . . . . 0.0 110.139 -179.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 691' ' ' ASN . . . . . 0.446 ' OD1' ' HB2' ' A' ' 689' ' ' PRO . 6.6 m-20 -79.41 -6.17 56.26 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.262 -0.899 . . . . 0.0 109.671 179.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 692' ' ' VAL . . . . . 0.496 HG22 ' O ' ' A' ' 692' ' ' VAL . 27.3 m -122.26 70.81 33.43 Favored Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.37 -0.831 . . . . 0.0 110.177 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 693' ' ' PRO . . . . . 0.421 ' HD3' ' C ' ' A' ' 691' ' ' ASN . 3.1 Cg_exo -59.02 -19.76 50.11 Favored 'Trans proline' 0 C--N 1.31 -1.459 0 O-C-N 123.649 1.341 . . . . 0.0 110.616 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -52.17 -39.66 60.36 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.237 -0.914 . . . . 0.0 110.104 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 695' ' ' LEU . . . . . 0.607 HD13 ' CG ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -115.17 -10.92 12.09 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.326 -0.859 . . . . 0.0 110.268 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 696' ' ' TRP . . . . . 0.607 ' CG ' HD13 ' A' ' 695' ' ' LEU . 0.6 OUTLIER -105.13 95.87 6.14 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.188 -0.945 . . . . 0.0 110.105 179.294 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -99.76 102.31 13.72 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.104 -0.998 . . . . 0.0 109.906 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . 0.522 ' HA ' ' HA ' ' A' ' 675' ' ' TYR . 1.0 OUTLIER -97.15 -172.25 2.39 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.191 -0.943 . . . . 0.0 110.745 -179.642 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 699' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.445 -0.784 . . . . 0.0 110.131 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . 0.42 ' HA ' ' OG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.171 0.51 . . . . 0.0 110.201 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 656' ' ' TRP . . . . . 0.664 ' CD2' ' CE2' ' A' ' 670' ' ' TYR . 36.3 t90 -50.22 144.47 7.17 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.271 -0.893 . . . . 0.0 110.111 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -118.24 108.9 15.7 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.195 -0.941 . . . . 0.0 110.251 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 658' ' ' VAL . . . . . 0.577 ' HA ' ' CZ2' ' A' ' 656' ' ' TRP . 2.2 p -53.76 147.93 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.142 -0.974 . . . . 0.0 110.061 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 659' ' ' ASN . . . . . 0.408 ' HA ' ' O ' ' A' ' 683' ' ' SER . 4.4 m-20 57.78 56.5 4.76 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.252 -0.905 . . . . 0.0 110.123 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 99.1 m -138.71 144.08 39.39 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.252 -0.905 . . . . 0.0 110.21 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -87.79 122.44 31.45 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.112 -0.993 . . . . 0.0 110.207 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 662' ' ' TYR . . . . . 0.463 ' O ' ' HA ' ' A' ' 680' ' ' PRO . 19.4 m-85 -114.79 157.49 23.17 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.134 -0.979 . . . . 0.0 110.326 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 663' ' ' THR . . . . . 0.431 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 16.3 p -100.7 -167.11 1.39 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.306 -0.871 . . . . 0.0 110.062 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 664' ' ' ALA . . . . . 0.441 ' HB1' ' HD3' ' A' ' 680' ' ' PRO . . . -90.11 108.34 19.67 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.223 -0.923 . . . . 0.0 110.084 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 110.9 30.62 3.16 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . 0.543 ' HB2' ' CB ' ' A' ' 677' ' ' CYS . 4.0 mm-40 -90.4 168.38 11.91 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.316 -1.108 . . . . 0.0 109.826 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -130.73 105.13 7.59 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.136 -0.978 . . . . 0.0 110.541 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 668' ' ' VAL . . . . . 0.469 HG21 ' HB2' ' A' ' 675' ' ' TYR . 2.3 m -113.65 173.04 3.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.351 -0.843 . . . . 0.0 109.67 179.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 669' ' ' THR . . . . . 0.42 ' OG1' ' HA ' ' A' ' 655' ' ' ALA . 18.3 p -140.53 121.09 14.19 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.026 -1.046 . . . . 0.0 110.777 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 670' ' ' TYR . . . . . 0.664 ' CE2' ' CD2' ' A' ' 656' ' ' TRP . 56.9 m-85 -96.18 -159.52 0.73 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.322 -0.861 . . . . 0.0 109.663 179.46 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 670' ' ' TYR . 1.7 t-20 -43.72 94.17 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.09 -1.006 . . . . 0.0 110.159 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 672' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 670' ' ' TYR . . . 48.99 27.42 6.65 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.581 -1.407 . . . . 0.0 109.581 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 673' ' ' LYS . . . . . 0.445 ' HB2' ' HB2' ' A' ' 670' ' ' TYR . 1.6 mttm -118.34 158.52 25.08 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.216 -1.167 . . . . 0.0 110.556 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 674' ' ' THR . . . . . . . . . . . . . 22.9 m -126.24 117.89 24.01 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.403 -0.81 . . . . 0.0 109.642 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 675' ' ' TYR . . . . . 0.586 ' CE2' ' HB2' ' A' ' 698' ' ' LEU . 39.9 m-85 -115.38 157.27 24.13 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.145 -0.972 . . . . 0.0 110.461 -179.59 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 697' ' ' GLN . 0.7 OUTLIER -124.54 92.7 3.71 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.305 -0.872 . . . . 0.0 109.909 179.797 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . 0.543 ' CB ' ' HB2' ' A' ' 666' ' ' GLN . 0.0 OUTLIER -47.99 143.46 4.26 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.145 -0.972 . . . . 0.0 109.87 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.493 HD11 ' NE2' ' A' ' 697' ' ' GLN . 6.9 tt -127.91 -4.95 5.69 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.298 -0.876 . . . . 0.0 110.61 -179.326 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 679' ' ' GLN . . . . . 0.425 ' CB ' ' HB2' ' A' ' 695' ' ' LEU . 0.7 OUTLIER -140.55 140.05 21.7 Favored Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.055 -1.028 . . . . 0.0 110.34 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 680' ' ' PRO . . . . . 0.463 ' HA ' ' O ' ' A' ' 662' ' ' TYR . 2.9 Cg_endo -63.38 94.22 0.17 Allowed 'Trans proline' 0 C--N 1.313 -1.341 0 O-C-N 123.513 1.27 . . . . 0.0 110.355 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 681' ' ' HIS . . . . . 0.442 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 0.4 OUTLIER -135.72 -174.01 3.53 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.163 -0.961 . . . . 0.0 110.29 -179.802 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 682' ' ' THR . . . . . 0.471 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 53.4 m -120.77 124.66 45.65 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.241 -0.912 . . . . 0.0 110.248 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 683' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' A' ' 659' ' ' ASN . 1.1 t -84.84 147.82 26.61 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.294 -0.879 . . . . 0.0 109.952 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . 0.492 ' N ' HD21 ' A' ' 684' ' ' LEU . 0.7 OUTLIER -152.65 -177.01 5.97 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.212 -0.93 . . . . 0.0 110.122 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -63.39 76.09 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.263 -0.898 . . . . 0.0 110.218 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 686' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 173.5 -35.62 0.12 Allowed Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 687' ' ' TRP . . . . . 0.471 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 44.5 m0 -89.82 40.24 0.99 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.295 -1.121 . . . . 0.0 109.785 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 688' ' ' GLU . . . . . 0.589 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.0 OUTLIER -88.93 -48.06 0.42 Allowed Pre-proline 0 N--CA 1.494 1.759 0 O-C-N 121.414 -0.804 . . . . 0.0 110.495 -179.689 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 689' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.7 Cg_endo -71.41 0.12 7.31 Favored 'Trans proline' 0 C--N 1.315 -1.216 0 O-C-N 123.211 1.111 . . . . 0.0 110.552 179.625 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 690' ' ' SER . . . . . 0.514 ' CB ' ' CE2' ' A' ' 675' ' ' TYR . 1.3 t 59.63 61.7 1.9 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.328 -0.857 . . . . 0.0 109.625 -179.391 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 691' ' ' ASN . . . . . 0.461 ' OD1' ' HB2' ' A' ' 689' ' ' PRO . 7.3 m-20 -85.36 5.14 32.06 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.223 -0.923 . . . . 0.0 110.441 -179.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 692' ' ' VAL . . . . . 0.466 HG21 ' CD1' ' A' ' 695' ' ' LEU . 12.3 m -129.51 85.42 58.85 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.046 -1.034 . . . . 0.0 110.608 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -61.21 -12.75 24.73 Favored 'Trans proline' 0 C--N 1.31 -1.457 0 O-C-N 123.692 1.364 . . . . 0.0 110.472 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -60.5 -36.43 78.32 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.331 -0.856 . . . . 0.0 110.373 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 695' ' ' LEU . . . . . 0.61 HD13 ' CG ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -121.8 -11.83 8.53 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.186 -0.946 . . . . 0.0 110.298 -179.818 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 696' ' ' TRP . . . . . 0.61 ' CG ' HD13 ' A' ' 695' ' ' LEU . 0.9 OUTLIER -101.22 109.23 21.06 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.163 -0.96 . . . . 0.0 110.117 179.495 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 697' ' ' GLN . . . . . 0.493 ' NE2' HD11 ' A' ' 678' ' ' LEU . 0.4 OUTLIER -102.02 73.4 1.38 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.112 -0.992 . . . . 0.0 109.977 179.737 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . 0.586 ' HB2' ' CE2' ' A' ' 675' ' ' TYR . 43.7 tp -53.98 161.1 1.3 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.291 -0.881 . . . . 0.0 110.329 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 699' ' ' GLN . . . . . 0.521 ' N ' ' HG ' ' A' ' 698' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.599 0 O-C-N 121.305 -0.872 . . . . 0.0 110.275 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.206 0.527 . . . . 0.0 110.192 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 656' ' ' TRP . . . . . 0.493 ' CD2' ' CE1' ' A' ' 670' ' ' TYR . 86.2 t90 -51.24 141.65 14.36 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.25 -0.906 . . . . 0.0 110.094 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -122.76 123.23 40.59 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.268 -0.895 . . . . 0.0 110.243 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 658' ' ' VAL . . . . . 0.468 HG23 ' N ' ' A' ' 659' ' ' ASN . 7.7 p -68.23 156.32 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.346 -0.846 . . . . 0.0 110.242 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 659' ' ' ASN . . . . . 0.468 ' N ' HG23 ' A' ' 658' ' ' VAL . 0.8 OUTLIER 58.68 49.57 10.04 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.24 -0.913 . . . . 0.0 110.015 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 27.9 m -139.68 132.73 29.54 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.274 -0.891 . . . . 0.0 110.364 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -78.34 119.37 21.59 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.267 -0.896 . . . . 0.0 110.149 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -107.36 146.34 31.72 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.29 -0.881 . . . . 0.0 110.146 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 663' ' ' THR . . . . . 0.421 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 1.4 p -100.9 163.52 12.26 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.204 -0.935 . . . . 0.0 110.262 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 664' ' ' ALA . . . . . 0.457 ' CB ' ' HD3' ' A' ' 680' ' ' PRO . . . -58.93 119.73 7.76 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.309 -0.87 . . . . 0.0 110.412 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 100.58 29.33 6.66 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . 0.48 ' HB2' ' HB3' ' A' ' 677' ' ' CYS . 1.3 tm0? -90.23 -178.12 5.31 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.151 -1.205 . . . . 0.0 110.335 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 667' ' ' LEU . . . . . 0.403 ' C ' HG11 ' A' ' 668' ' ' VAL . 0.4 OUTLIER -141.79 116.78 9.92 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.343 -0.848 . . . . 0.0 110.401 -179.831 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 668' ' ' VAL . . . . . 0.478 ' CG2' ' HB2' ' A' ' 675' ' ' TYR . 2.4 m -129.8 156.27 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.117 -0.989 . . . . 0.0 109.903 179.713 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 669' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 655' ' ' ALA . 23.4 p -140.86 121.88 14.61 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.064 -1.023 . . . . 0.0 110.088 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 670' ' ' TYR . . . . . 0.578 ' CZ ' ' HA ' ' A' ' 688' ' ' GLU . 60.6 m-85 -80.66 -175.01 5.03 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.933 -1.105 . . . . 0.0 110.355 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . 0.486 ' C ' ' O ' ' A' ' 670' ' ' TYR . 4.2 m120 -31.07 -40.98 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.938 0 CA-C-O 121.195 0.521 . . . . 0.0 111.457 -179.339 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 672' ' ' GLY . . . . . 0.436 ' C ' ' HG2' ' A' ' 673' ' ' LYS . . . -159.88 45.37 0.43 Allowed Glycine 0 N--CA 1.488 2.145 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 673' ' ' LYS . . . . . 0.436 ' HG2' ' C ' ' A' ' 672' ' ' GLY . 40.1 mmtt -139.95 148.43 41.95 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.189 -1.183 . . . . 0.0 110.827 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 674' ' ' THR . . . . . 0.477 ' HB ' ' HG3' ' A' ' 699' ' ' GLN . 1.7 m -104.66 124.72 49.84 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.542 -0.724 . . . . 0.0 109.835 179.52 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 675' ' ' TYR . . . . . 0.608 ' CE1' ' HB3' ' A' ' 698' ' ' LEU . 36.1 m-85 -131.81 159.7 37.77 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.25 -0.906 . . . . 0.0 110.64 -179.584 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . 0.464 ' HG2' ' HB3' ' A' ' 697' ' ' GLN . 0.0 OUTLIER -140.15 129.85 24.42 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.351 -0.843 . . . . 0.0 109.528 179.291 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . 0.482 ' O ' ' N ' ' A' ' 665' ' ' GLY . 0.5 OUTLIER -75.93 138.16 40.82 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.311 -0.868 . . . . 0.0 110.25 -179.692 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.451 ' CD1' ' HB2' ' A' ' 697' ' ' GLN . 0.1 OUTLIER -116.25 -7.82 11.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.299 -0.875 . . . . 0.0 110.564 -179.775 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 679' ' ' GLN . . . . . 0.523 ' HB3' ' CE1' ' A' ' 681' ' ' HIS . 0.2 OUTLIER -146.78 141.16 15.8 Favored Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.1 -1.0 . . . . 0.0 110.439 -179.892 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 680' ' ' PRO . . . . . 0.457 ' HD3' ' CB ' ' A' ' 664' ' ' ALA . 3.1 Cg_exo -61.76 95.46 0.13 Allowed 'Trans proline' 0 C--N 1.314 -1.252 0 O-C-N 123.496 1.261 . . . . 0.0 110.664 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 681' ' ' HIS . . . . . 0.523 ' CE1' ' HB3' ' A' ' 679' ' ' GLN . 20.1 m80 -131.09 -166.16 1.66 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.267 -0.895 . . . . 0.0 110.167 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 682' ' ' THR . . . . . 0.58 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 53.8 m -123.73 122.83 39.1 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.237 -0.914 . . . . 0.0 110.547 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 48.2 p -86.85 137.79 32.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.276 -0.89 . . . . 0.0 109.925 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . 0.506 ' O ' ' N ' ' A' ' 686' ' ' GLY . 0.6 OUTLIER -146.94 -177.53 5.71 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.218 -0.926 . . . . 0.0 110.611 -179.862 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -62.56 74.06 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.335 -0.853 . . . . 0.0 110.071 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 686' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 176.38 -37.81 0.1 OUTLIER Glycine 0 N--CA 1.489 2.171 0 N-CA-C 109.418 -1.473 . . . . 0.0 109.418 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 687' ' ' TRP . . . . . 0.58 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 40.0 m0 -89.07 38.91 0.91 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.149 -1.207 . . . . 0.0 110.253 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 688' ' ' GLU . . . . . 0.603 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.7 mt-10 -88.11 -48.53 0.44 Allowed Pre-proline 0 N--CA 1.494 1.766 0 O-C-N 121.268 -0.895 . . . . 0.0 110.41 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 689' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.5 Cg_endo -71.1 -2.51 11.23 Favored 'Trans proline' 0 C--N 1.314 -1.238 0 O-C-N 123.346 1.182 . . . . 0.0 110.346 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 690' ' ' SER . . . . . 0.528 ' CB ' ' CE1' ' A' ' 675' ' ' TYR . 1.7 p 64.37 62.87 0.79 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.308 -0.87 . . . . 0.0 109.861 -179.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -85.17 6.94 23.67 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.141 -0.974 . . . . 0.0 110.811 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 692' ' ' VAL . . . . . 0.466 ' O ' HG21 ' A' ' 692' ' ' VAL . 25.7 m -137.46 84.41 23.41 Favored Pre-proline 0 N--CA 1.493 1.688 0 O-C-N 120.984 -1.072 . . . . 0.0 110.552 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -60.51 -15.58 37.07 Favored 'Trans proline' 0 C--N 1.312 -1.38 0 O-C-N 123.68 1.358 . . . . 0.0 110.545 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -49.58 -37.81 28.9 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.187 -0.946 . . . . 0.0 109.958 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 695' ' ' LEU . . . . . 0.469 ' C ' ' CD1' ' A' ' 695' ' ' LEU . 1.1 pp -129.92 -1.34 4.71 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.241 -0.912 . . . . 0.0 110.015 179.665 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 696' ' ' TRP . . . . . 0.526 ' HA ' ' CE3' ' A' ' 696' ' ' TRP . 0.7 OUTLIER -111.36 92.39 4.02 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.232 -0.917 . . . . 0.0 109.786 179.574 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 697' ' ' GLN . . . . . 0.464 ' HB3' ' HG2' ' A' ' 676' ' ' LYS . 16.4 tt0 -99.22 108.23 20.75 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.189 -0.944 . . . . 0.0 109.784 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . 0.608 ' HB3' ' CE1' ' A' ' 675' ' ' TYR . 0.9 OUTLIER -96.39 -174.27 3.01 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.356 -0.84 . . . . 0.0 110.762 -179.409 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 699' ' ' GLN . . . . . 0.564 ' N ' ' CD1' ' A' ' 698' ' ' LEU . 2.7 pt20 . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.49 -0.756 . . . . 0.0 110.161 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . 0.458 ' HA ' ' OG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.493 1.72 0 CA-C-O 121.215 0.531 . . . . 0.0 110.257 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 656' ' ' TRP . . . . . 0.579 ' CD2' ' CE1' ' A' ' 670' ' ' TYR . 66.9 t90 -63.72 157.41 24.27 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.087 -1.008 . . . . 0.0 110.332 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -135.8 139.65 43.64 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.273 -0.892 . . . . 0.0 110.12 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 658' ' ' VAL . . . . . 0.452 ' HB ' ' CH2' ' A' ' 656' ' ' TRP . 3.6 p -79.2 148.97 5.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.275 -0.89 . . . . 0.0 110.432 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 39.5 t30 60.07 43.04 14.86 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.38 -0.825 . . . . 0.0 109.767 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 92.6 m -125.42 149.28 48.34 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.426 -0.797 . . . . 0.0 110.102 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . 0.411 ' HA ' ' HA ' ' A' ' 682' ' ' THR . . . -101.37 113.67 26.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.255 -0.903 . . . . 0.0 110.206 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -101.89 157.61 16.73 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.351 -0.843 . . . . 0.0 110.018 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 1.5 p -99.52 178.88 4.73 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.269 -0.895 . . . . 0.0 110.07 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 664' ' ' ALA . . . . . 0.499 ' CB ' ' HD3' ' A' ' 680' ' ' PRO . . . -73.57 124.09 25.23 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.202 -0.936 . . . . 0.0 110.127 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 92.15 27.78 15.09 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.389 -1.485 . . . . 0.0 109.389 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -88.13 177.55 6.87 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.233 -1.157 . . . . 0.0 110.217 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 667' ' ' LEU . . . . . 0.485 ' C ' ' CD2' ' A' ' 667' ' ' LEU . 2.2 tt -136.56 128.64 29.6 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.229 -0.92 . . . . 0.0 110.454 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 668' ' ' VAL . . . . . 0.48 HG22 ' CH2' ' A' ' 696' ' ' TRP . 2.9 m -133.39 164.87 33.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.391 -0.818 . . . . 0.0 109.772 179.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 669' ' ' THR . . . . . 0.458 ' OG1' ' HA ' ' A' ' 655' ' ' ALA . 69.4 p -139.61 125.23 19.35 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.993 -1.067 . . . . 0.0 110.545 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 670' ' ' TYR . . . . . 0.579 ' CE1' ' CD2' ' A' ' 656' ' ' TRP . 61.8 m-85 -101.67 103.15 13.92 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.319 -0.863 . . . . 0.0 109.849 179.56 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . 0.457 ' HB2' ' O ' ' A' ' 670' ' ' TYR . 59.9 m-20 56.85 -85.76 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.301 -0.874 . . . . 0.0 110.171 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 672' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 670' ' ' TYR . . . -126.39 33.86 3.35 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 673' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 669' ' ' THR . 17.8 mmtm -129.97 164.37 24.39 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.225 -1.162 . . . . 0.0 110.083 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 674' ' ' THR . . . . . 0.502 ' HB ' ' NE2' ' A' ' 699' ' ' GLN . 2.6 m -140.09 126.55 20.21 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.132 -0.98 . . . . 0.0 110.605 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 675' ' ' TYR . . . . . 0.498 ' HA ' ' HA ' ' A' ' 698' ' ' LEU . 87.9 m-85 -122.22 166.55 14.44 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.363 -0.836 . . . . 0.0 110.127 179.612 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . 0.48 ' HB2' ' O ' ' A' ' 697' ' ' GLN . 0.7 OUTLIER -129.55 101.18 5.82 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.146 -0.971 . . . . 0.0 110.58 -179.741 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . 0.524 ' O ' ' N ' ' A' ' 665' ' ' GLY . 0.0 OUTLIER -50.15 141.19 11.61 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.315 -0.865 . . . . 0.0 110.059 179.81 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.441 ' O ' ' HB2' ' A' ' 664' ' ' ALA . 3.3 tt -118.7 -15.74 9.45 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.386 -0.821 . . . . 0.0 110.296 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -136.12 140.46 33.08 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.145 -0.972 . . . . 0.0 110.194 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 680' ' ' PRO . . . . . 0.515 ' O ' ' ND1' ' A' ' 681' ' ' HIS . 2.9 Cg_endo -62.5 98.62 0.19 Allowed 'Trans proline' 0 C--N 1.312 -1.348 0 O-C-N 123.522 1.275 . . . . 0.0 110.475 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 681' ' ' HIS . . . . . 0.515 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 4.9 m-70 -137.74 -166.03 1.88 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.239 -0.913 . . . . 0.0 110.072 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 682' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' A' ' 661' ' ' ALA . 8.2 m -128.03 123.79 35.55 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.247 -0.908 . . . . 0.0 109.847 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.82 137.94 31.89 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.282 -0.886 . . . . 0.0 109.98 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . 0.627 ' N ' ' CD1' ' A' ' 684' ' ' LEU . 0.0 OUTLIER -141.45 -166.38 2.18 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.302 -0.874 . . . . 0.0 110.592 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -61.65 82.53 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.202 -0.936 . . . . 0.0 110.12 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 686' ' ' GLY . . . . . 0.501 ' O ' ' HD2' ' A' ' 689' ' ' PRO . . . 158.44 -36.32 0.52 Allowed Glycine 0 N--CA 1.489 2.187 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 687' ' ' TRP . . . . . 0.446 ' CZ3' ' HB3' ' A' ' 681' ' ' HIS . 1.8 m0 -84.85 26.96 0.78 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.155 -1.203 . . . . 0.0 110.667 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 688' ' ' GLU . . . . . 0.608 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 5.6 mt-10 -90.88 -45.1 0.38 Allowed Pre-proline 0 N--CA 1.498 1.949 0 O-C-N 121.046 -1.034 . . . . 0.0 111.869 -179.266 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 689' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.6 Cg_endo -68.15 -3.23 10.34 Favored 'Trans proline' 0 C--N 1.315 -1.209 0 O-C-N 122.985 0.992 . . . . 0.0 110.939 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 690' ' ' SER . . . . . 0.469 ' OG ' ' O ' ' A' ' 689' ' ' PRO . 1.3 p 65.64 47.37 2.19 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.127 -0.983 . . . . 0.0 109.635 -179.428 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 691' ' ' ASN . . . . . 0.452 ' OD1' HG12 ' A' ' 692' ' ' VAL . 11.1 p30 -83.2 16.25 2.52 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.242 -0.911 . . . . 0.0 110.57 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 692' ' ' VAL . . . . . 0.529 HG21 ' CD1' ' A' ' 695' ' ' LEU . 14.4 m -138.76 76.13 35.46 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.081 -1.012 . . . . 0.0 110.089 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -59.65 -15.92 33.96 Favored 'Trans proline' 0 C--N 1.311 -1.406 0 O-C-N 123.696 1.366 . . . . 0.0 110.505 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -60.69 -42.61 97.48 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.309 -0.869 . . . . 0.0 109.955 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 695' ' ' LEU . . . . . 0.576 ' CD1' ' N ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -108.69 -13.99 14.7 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.185 -0.947 . . . . 0.0 109.874 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 696' ' ' TRP . . . . . 0.576 ' N ' ' CD1' ' A' ' 695' ' ' LEU . 0.2 OUTLIER -99.49 127.03 45.53 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.323 -0.861 . . . . 0.0 110.187 179.915 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 697' ' ' GLN . . . . . 0.48 ' O ' ' HB2' ' A' ' 676' ' ' LYS . 6.1 tp-100 -108.77 72.01 0.8 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.254 -0.904 . . . . 0.0 109.602 179.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . 0.498 ' HA ' ' HA ' ' A' ' 675' ' ' TYR . 22.4 tp -54.27 156.82 2.98 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.283 -0.886 . . . . 0.0 110.819 -179.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 699' ' ' GLN . . . . . 0.502 ' NE2' ' HB ' ' A' ' 674' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.415 -0.803 . . . . 0.0 110.196 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.265 0.555 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 656' ' ' TRP . . . . . 0.543 ' CH2' ' HB ' ' A' ' 658' ' ' VAL . 78.4 t90 -58.66 163.28 3.36 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.235 -0.915 . . . . 0.0 110.369 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 657' ' ' GLN . . . . . 0.418 ' N ' ' CG ' ' A' ' 656' ' ' TRP . 37.5 mt-30 -143.94 134.44 24.76 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.325 -0.86 . . . . 0.0 109.896 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 658' ' ' VAL . . . . . 0.543 ' HB ' ' CH2' ' A' ' 656' ' ' TRP . 3.4 p -77.71 148.2 6.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.261 -0.899 . . . . 0.0 110.763 -179.479 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 659' ' ' ASN . . . . . 0.437 ' CB ' ' O ' ' A' ' 658' ' ' VAL . 4.1 t-20 65.71 51.86 1.38 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.438 -0.789 . . . . 0.0 110.374 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 660' ' ' THR . . . . . 0.447 ' CG2' ' N ' ' A' ' 661' ' ' ALA . 31.0 m -137.73 169.66 17.4 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.308 -0.87 . . . . 0.0 110.1 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . 0.447 ' N ' ' CG2' ' A' ' 660' ' ' THR . . . -115.16 117.7 31.26 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.297 -0.877 . . . . 0.0 110.478 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -109.93 156.32 20.59 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.163 -0.961 . . . . 0.0 110.179 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.52 170.93 7.65 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.271 -0.893 . . . . 0.0 110.025 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 664' ' ' ALA . . . . . 0.525 ' CB ' ' HD3' ' A' ' 680' ' ' PRO . . . -68.73 103.99 1.89 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.239 -0.913 . . . . 0.0 110.107 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 119.56 28.44 1.93 Allowed Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . 0.446 ' NE2' HG13 ' A' ' 668' ' ' VAL . 0.0 OUTLIER -88.98 170.41 10.69 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.224 -1.162 . . . . 0.0 109.988 179.855 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.22 92.82 2.83 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.165 -0.959 . . . . 0.0 110.398 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 668' ' ' VAL . . . . . 0.446 HG13 ' NE2' ' A' ' 666' ' ' GLN . 2.1 m -100.59 172.75 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.347 -0.846 . . . . 0.0 110.055 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 669' ' ' THR . . . . . 0.403 HG22 ' HA ' ' A' ' 674' ' ' THR . 1.0 OUTLIER -140.96 115.97 9.81 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.204 -0.935 . . . . 0.0 109.959 179.249 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 670' ' ' TYR . . . . . 0.58 ' CE2' ' HA ' ' A' ' 688' ' ' GLU . 44.8 m-85 -87.99 -162.48 0.83 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.201 -0.937 . . . . 0.0 109.997 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . 0.487 ' O ' ' CG ' ' A' ' 673' ' ' LYS . 3.6 m120 -43.93 96.76 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.084 -1.01 . . . . 0.0 110.245 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 672' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 670' ' ' TYR . . . 46.8 29.35 4.26 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 673' ' ' LYS . . . . . 0.487 ' CG ' ' O ' ' A' ' 671' ' ' ASN . 18.0 mmtt -119.78 152.5 37.14 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.297 -1.119 . . . . 0.0 110.348 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 674' ' ' THR . . . . . 0.403 ' HA ' HG22 ' A' ' 669' ' ' THR . 0.2 OUTLIER -109.31 126.56 53.5 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.403 -0.811 . . . . 0.0 109.703 179.734 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 675' ' ' TYR . . . . . 0.61 ' CD2' ' HB3' ' A' ' 698' ' ' LEU . 17.6 m-85 -133.27 157.67 44.86 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.223 -0.923 . . . . 0.0 110.676 -179.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . 0.46 ' HB3' ' O ' ' A' ' 697' ' ' GLN . 0.1 OUTLIER -140.56 120.44 13.54 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.329 -0.857 . . . . 0.0 109.904 179.816 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.64 142.79 56.29 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.152 -0.968 . . . . 0.0 110.287 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 1.5 tt -120.42 -6.21 9.81 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.242 -0.911 . . . . 0.0 110.114 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 679' ' ' GLN . . . . . 0.485 ' HB3' ' NE2' ' A' ' 681' ' ' HIS . 30.5 mt-30 -140.5 139.45 20.45 Favored Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.261 -0.9 . . . . 0.0 110.098 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 680' ' ' PRO . . . . . 0.525 ' HD3' ' CB ' ' A' ' 664' ' ' ALA . 3.0 Cg_exo -62.99 96.07 0.17 Allowed 'Trans proline' 0 C--N 1.314 -1.256 0 O-C-N 123.486 1.256 . . . . 0.0 110.326 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 681' ' ' HIS . . . . . 0.514 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 17.0 m-70 -138.78 -164.59 1.67 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.211 -0.93 . . . . 0.0 110.308 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 8.2 m -127.84 122.71 33.3 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.307 -0.871 . . . . 0.0 110.089 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.06 142.92 43.68 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.214 -0.929 . . . . 0.0 110.229 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 686' ' ' GLY . 0.8 OUTLIER -146.52 178.41 8.31 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.29 -0.881 . . . . 0.0 110.618 -179.906 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -64.51 70.67 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.332 -0.855 . . . . 0.0 110.171 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 686' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . -179.22 -32.93 0.06 OUTLIER Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 32.0 m0 -88.86 38.64 0.89 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.237 -1.155 . . . . 0.0 110.213 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 688' ' ' GLU . . . . . 0.582 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.6 mt-10 -90.01 -48.29 0.38 Allowed Pre-proline 0 N--CA 1.497 1.877 0 O-C-N 121.269 -0.894 . . . . 0.0 110.88 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 689' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.8 Cg_endo -69.1 -5.3 15.46 Favored 'Trans proline' 0 C--N 1.314 -1.253 0 O-C-N 123.281 1.148 . . . . 0.0 110.237 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 690' ' ' SER . . . . . 0.465 ' OG ' ' O ' ' A' ' 689' ' ' PRO . 1.7 p 62.67 52.8 2.72 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.441 -0.787 . . . . 0.0 110.134 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 691' ' ' ASN . . . . . 0.471 ' OD1' HG11 ' A' ' 692' ' ' VAL . 26.3 p30 -82.29 16.29 2.09 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.191 -0.943 . . . . 0.0 110.482 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 692' ' ' VAL . . . . . 0.515 ' CG2' HD13 ' A' ' 695' ' ' LEU . 3.4 m -137.22 75.81 45.78 Favored Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.173 -0.954 . . . . 0.0 109.688 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -59.98 -14.01 25.92 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 O-C-N 123.725 1.382 . . . . 0.0 110.772 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 694' ' ' ALA . . . . . 0.433 ' O ' ' OE1' ' A' ' 679' ' ' GLN . . . -67.37 -39.13 85.66 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.247 -0.908 . . . . 0.0 110.408 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 695' ' ' LEU . . . . . 0.585 HD11 ' CG ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -114.99 -14.04 11.87 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.171 -0.956 . . . . 0.0 110.378 -179.835 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 696' ' ' TRP . . . . . 0.585 ' CG ' HD11 ' A' ' 695' ' ' LEU . 1.6 m95 -111.46 93.84 4.67 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.074 -1.016 . . . . 0.0 110.148 179.659 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 697' ' ' GLN . . . . . 0.46 ' O ' ' HB3' ' A' ' 676' ' ' LYS . 22.4 tt0 -99.65 111.66 23.98 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.181 -0.95 . . . . 0.0 109.611 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . 0.61 ' HB3' ' CD2' ' A' ' 675' ' ' TYR . 0.5 OUTLIER -99.84 -167.74 1.5 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.194 -0.941 . . . . 0.0 110.88 -179.211 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 699' ' ' GLN . . . . . 0.532 ' N ' HD12 ' A' ' 698' ' ' LEU . 12.4 pt20 . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.35 -0.844 . . . . 0.0 110.258 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.272 0.558 . . . . 0.0 110.164 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 656' ' ' TRP . . . . . 0.637 ' CD2' ' CE2' ' A' ' 670' ' ' TYR . 89.2 t90 -73.72 170.1 15.96 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.219 -0.926 . . . . 0.0 110.579 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 657' ' ' GLN . . . . . 0.487 ' CG ' ' O ' ' A' ' 656' ' ' TRP . 32.3 mt-30 -156.7 146.7 21.05 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.409 -0.807 . . . . 0.0 109.858 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 658' ' ' VAL . . . . . 0.508 HG22 ' N ' ' A' ' 659' ' ' ASN . 4.9 p -86.75 149.01 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.203 -0.936 . . . . 0.0 110.439 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 659' ' ' ASN . . . . . 0.508 ' N ' HG22 ' A' ' 658' ' ' VAL . 28.9 t30 64.49 50.57 2.18 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.465 -0.772 . . . . 0.0 110.241 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 6.3 m -134.79 172.27 13.2 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.248 -0.908 . . . . 0.0 110.148 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -113.57 109.49 18.71 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.229 -0.919 . . . . 0.0 110.06 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -102.53 155.13 18.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.186 -0.946 . . . . 0.0 110.41 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 663' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 13.9 p -103.07 -166.98 1.33 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.27 -0.894 . . . . 0.0 109.933 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 664' ' ' ALA . . . . . 0.415 ' CB ' ' HD3' ' A' ' 680' ' ' PRO . . . -86.87 148.9 25.17 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.156 -0.965 . . . . 0.0 110.139 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 63.96 29.45 74.88 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.621 -1.391 . . . . 0.0 109.621 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . 0.418 ' HB2' ' HB3' ' A' ' 677' ' ' CYS . 0.0 OUTLIER -86.91 171.86 10.49 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.218 -1.166 . . . . 0.0 110.099 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.63 125.91 39.12 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.219 -0.926 . . . . 0.0 110.303 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 668' ' ' VAL . . . . . 0.565 HG21 ' CH2' ' A' ' 696' ' ' TRP . 3.0 m -135.69 160.91 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.345 -0.847 . . . . 0.0 110.0 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 669' ' ' THR . . . . . 0.465 ' HA ' ' O ' ' A' ' 673' ' ' LYS . 34.8 p -140.39 122.5 15.73 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.246 -0.909 . . . . 0.0 110.113 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 670' ' ' TYR . . . . . 0.637 ' CE2' ' CD2' ' A' ' 656' ' ' TRP . 71.7 m-85 -90.06 89.21 7.59 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.193 -0.942 . . . . 0.0 110.193 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . 0.465 ' HB2' ' O ' ' A' ' 670' ' ' TYR . 6.1 m120 64.31 -69.74 0.08 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.383 -0.823 . . . . 0.0 110.465 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 672' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 670' ' ' TYR . . . -138.1 22.3 3.1 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.722 -1.351 . . . . 0.0 109.722 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 673' ' ' LYS . . . . . 0.465 ' O ' ' HA ' ' A' ' 669' ' ' THR . 7.4 mmtp -115.25 146.29 41.61 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.105 -1.232 . . . . 0.0 110.337 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 674' ' ' THR . . . . . . . . . . . . . 1.9 m -103.24 127.56 50.51 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.366 -0.833 . . . . 0.0 109.993 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 675' ' ' TYR . . . . . 0.571 ' CE1' ' CB ' ' A' ' 698' ' ' LEU . 28.4 m-85 -133.53 155.2 50.02 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.174 -0.954 . . . . 0.0 110.603 -179.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.87 113.81 10.5 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.367 -0.833 . . . . 0.0 110.099 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 665' ' ' GLY . 4.8 t -69.05 141.96 54.66 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.289 -0.882 . . . . 0.0 110.1 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.439 ' O ' ' NE2' ' A' ' 679' ' ' GLN . 2.1 mp -113.78 -20.0 11.3 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.242 -0.911 . . . . 0.0 110.256 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 679' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 678' ' ' LEU . 91.2 mm-40 -136.06 145.99 54.7 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.342 -0.849 . . . . 0.0 110.275 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 680' ' ' PRO . . . . . 0.509 ' O ' ' ND1' ' A' ' 681' ' ' HIS . 2.9 Cg_endo -62.12 106.3 0.46 Allowed 'Trans proline' 0 C--N 1.311 -1.402 0 O-C-N 123.639 1.337 . . . . 0.0 110.496 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 681' ' ' HIS . . . . . 0.509 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 22.2 m-70 -142.49 174.31 10.74 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.185 -0.947 . . . . 0.0 110.215 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 94.9 m -111.36 121.7 45.92 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.223 -0.923 . . . . 0.0 110.419 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.57 148.58 36.95 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.226 -0.921 . . . . 0.0 109.896 179.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . 0.499 ' CD2' ' N ' ' A' ' 684' ' ' LEU . 0.9 OUTLIER -149.91 -179.39 7.1 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.081 -1.012 . . . . 0.0 110.605 -179.822 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -63.95 78.03 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.315 -0.866 . . . . 0.0 110.08 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 686' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 169.39 -35.17 0.18 Allowed Glycine 0 N--CA 1.49 2.233 0 N-CA-C 109.376 -1.49 . . . . 0.0 109.376 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 30.7 m0 -87.22 33.34 0.68 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.234 -1.157 . . . . 0.0 110.105 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 688' ' ' GLU . . . . . 0.597 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.8 mt-10 -87.35 -48.65 0.47 Allowed Pre-proline 0 N--CA 1.495 1.795 0 O-C-N 121.304 -0.873 . . . . 0.0 110.038 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 689' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.6 Cg_endo -70.71 -3.98 13.73 Favored 'Trans proline' 0 C--N 1.314 -1.266 0 O-C-N 123.389 1.205 . . . . 0.0 110.075 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 690' ' ' SER . . . . . 0.5 ' OG ' ' O ' ' A' ' 690' ' ' SER . 1.7 p 67.06 67.57 0.41 Allowed 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 121.733 0.778 . . . . 0.0 109.967 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -90.14 -1.1 57.9 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.165 -0.959 . . . . 0.0 110.92 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 692' ' ' VAL . . . . . 0.484 ' O ' HG23 ' A' ' 692' ' ' VAL . 25.4 m -126.03 83.68 62.74 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.003 -1.061 . . . . 0.0 110.61 -179.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -60.98 -12.35 22.19 Favored 'Trans proline' 0 C--N 1.31 -1.46 0 O-C-N 123.54 1.284 . . . . 0.0 110.487 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -58.38 -37.69 75.77 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.338 -0.851 . . . . 0.0 110.386 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 695' ' ' LEU . . . . . 0.584 HD12 ' CG ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -123.45 -12.66 7.72 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.169 -0.957 . . . . 0.0 110.362 -179.747 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 696' ' ' TRP . . . . . 0.584 ' CG ' HD12 ' A' ' 695' ' ' LEU . 0.6 OUTLIER -100.36 103.67 15.07 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.101 -0.999 . . . . 0.0 110.2 179.752 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 14.2 tp60 -100.29 91.96 4.97 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.279 -0.888 . . . . 0.0 110.037 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . 0.571 ' CB ' ' CE1' ' A' ' 675' ' ' TYR . 0.3 OUTLIER -90.65 165.68 13.58 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.237 -0.914 . . . . 0.0 110.415 -179.682 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 699' ' ' GLN . . . . . 0.489 ' N ' HD11 ' A' ' 698' ' ' LEU . 1.4 pp0? . . . . . 0 N--CA 1.491 1.62 0 O-C-N 121.369 -0.832 . . . . 0.0 110.189 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . 0.445 ' HA ' ' OG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.287 0.565 . . . . 0.0 110.326 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 656' ' ' TRP . . . . . 0.679 ' CD2' ' CE2' ' A' ' 670' ' ' TYR . 66.9 t90 -68.48 132.32 46.78 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.241 -0.912 . . . . 0.0 110.386 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -123.83 164.63 18.82 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.319 -0.863 . . . . 0.0 110.007 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 658' ' ' VAL . . . . . 0.428 HG11 ' CH2' ' A' ' 656' ' ' TRP . 15.3 m -89.2 154.78 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.275 -0.891 . . . . 0.0 110.171 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 659' ' ' ASN . . . . . 0.416 ' CB ' ' O ' ' A' ' 658' ' ' VAL . 0.2 OUTLIER 63.5 50.01 2.96 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.238 -0.914 . . . . 0.0 109.994 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 660' ' ' THR . . . . . 0.507 HG21 ' N ' ' A' ' 661' ' ' ALA . 91.7 m -135.79 161.4 35.7 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.249 -0.907 . . . . 0.0 110.319 -179.723 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . 0.507 ' N ' HG21 ' A' ' 660' ' ' THR . . . -109.69 127.89 54.89 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.233 -0.917 . . . . 0.0 110.102 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -118.59 157.07 28.06 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.205 -0.934 . . . . 0.0 110.342 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.41 167.97 9.4 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.177 -0.952 . . . . 0.0 109.949 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 664' ' ' ALA . . . . . 0.51 ' CB ' ' HD3' ' A' ' 680' ' ' PRO . . . -66.94 121.91 16.57 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.199 -0.938 . . . . 0.0 110.26 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 96.18 25.45 12.63 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . 0.436 ' HA ' ' OE1' ' A' ' 666' ' ' GLN . 0.0 OUTLIER -83.5 172.31 12.52 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.144 -1.21 . . . . 0.0 110.282 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 667' ' ' LEU . . . . . 0.497 ' CD2' ' HB2' ' A' ' 676' ' ' LYS . 26.8 mt -137.6 95.99 3.16 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.289 -0.882 . . . . 0.0 110.179 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 668' ' ' VAL . . . . . 0.452 HG21 ' HB2' ' A' ' 656' ' ' TRP . 2.6 m -105.68 176.55 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.419 -0.8 . . . . 0.0 109.988 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 669' ' ' THR . . . . . 0.453 ' HA ' ' O ' ' A' ' 673' ' ' LYS . 74.7 p -140.47 113.51 8.35 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.271 -0.893 . . . . 0.0 110.111 179.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 670' ' ' TYR . . . . . 0.679 ' CE2' ' CD2' ' A' ' 656' ' ' TRP . 72.4 m-85 -79.73 -165.35 0.79 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.253 -0.905 . . . . 0.0 109.926 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -47.25 95.46 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.117 -0.989 . . . . 0.0 109.773 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 672' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 670' ' ' TYR . . . 51.95 33.66 36.8 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 109.019 -1.632 . . . . 0.0 109.019 -179.566 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 673' ' ' LYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 669' ' ' THR . 8.1 mmtt -124.11 145.77 49.05 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.355 -1.085 . . . . 0.0 110.361 -179.627 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 674' ' ' THR . . . . . 0.418 ' O ' ' HB2' ' A' ' 698' ' ' LEU . 0.2 OUTLIER -104.79 120.49 41.5 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.322 -0.861 . . . . 0.0 109.471 179.565 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 675' ' ' TYR . . . . . 0.591 ' CD2' ' HB3' ' A' ' 698' ' ' LEU . 14.8 m-85 -131.86 159.5 38.39 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.18 -0.95 . . . . 0.0 111.096 -179.16 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . 0.497 ' HB2' ' CD2' ' A' ' 667' ' ' LEU . 0.0 OUTLIER -140.48 118.96 12.22 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.415 -0.803 . . . . 0.0 109.668 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.13 148.67 49.61 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.25 -0.906 . . . . 0.0 110.575 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 678' ' ' LEU . 1.2 tt -121.1 -13.03 8.62 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.33 -0.856 . . . . 0.0 110.511 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 679' ' ' GLN . . . . . 0.497 ' HB3' ' CD2' ' A' ' 681' ' ' HIS . 0.0 OUTLIER -136.76 145.12 49.68 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.105 -0.997 . . . . 0.0 110.316 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 680' ' ' PRO . . . . . 0.542 ' O ' ' ND1' ' A' ' 681' ' ' HIS . 3.1 Cg_exo -62.14 111.63 1.31 Allowed 'Trans proline' 0 C--N 1.312 -1.359 0 O-C-N 123.651 1.343 . . . . 0.0 110.801 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 681' ' ' HIS . . . . . 0.542 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 35.1 m-70 -156.01 -160.95 1.07 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.272 -0.893 . . . . 0.0 110.079 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 682' ' ' THR . . . . . 0.552 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 5.8 m -136.9 134.2 36.56 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.042 -1.036 . . . . 0.0 110.617 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 683' ' ' SER . . . . . 0.424 ' HB3' ' CZ2' ' A' ' 656' ' ' TRP . 55.6 m -80.76 149.12 29.77 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.306 -0.871 . . . . 0.0 109.796 179.516 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . 0.55 ' CD2' ' N ' ' A' ' 684' ' ' LEU . 0.6 OUTLIER -154.36 -177.53 6.52 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.336 -0.852 . . . . 0.0 110.396 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -64.65 77.25 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.284 -0.885 . . . . 0.0 110.334 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 686' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 169.12 -31.92 0.17 Allowed Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.844 -1.302 . . . . 0.0 109.844 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 687' ' ' TRP . . . . . 0.552 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 35.0 m0 -86.43 32.52 0.64 Allowed 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.065 -1.256 . . . . 0.0 110.42 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 688' ' ' GLU . . . . . 0.599 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.1 mt-10 -89.12 -48.08 0.41 Allowed Pre-proline 0 N--CA 1.495 1.815 0 O-C-N 121.138 -0.976 . . . . 0.0 110.663 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 689' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.5 Cg_endo -70.35 -0.73 7.84 Favored 'Trans proline' 0 C--N 1.314 -1.256 0 O-C-N 123.279 1.147 . . . . 0.0 110.779 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 690' ' ' SER . . . . . 0.463 ' OG ' ' O ' ' A' ' 689' ' ' PRO . 3.9 p 60.12 53.53 4.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.227 -0.921 . . . . 0.0 110.024 -179.454 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -84.89 17.11 2.98 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.269 -0.894 . . . . 0.0 110.382 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 692' ' ' VAL . . . . . 0.527 ' CG2' HD11 ' A' ' 695' ' ' LEU . 3.4 m -136.99 78.33 41.27 Favored Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.268 -0.895 . . . . 0.0 109.822 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -62.6 -9.45 15.97 Favored 'Trans proline' 0 C--N 1.311 -1.411 0 O-C-N 123.713 1.375 . . . . 0.0 110.781 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -74.47 -29.18 61.35 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.158 -0.964 . . . . 0.0 110.795 -179.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 695' ' ' LEU . . . . . 0.599 HD12 ' CG ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -124.98 -12.7 6.97 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.968 -1.082 . . . . 0.0 110.921 -179.485 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 696' ' ' TRP . . . . . 0.599 ' CG ' HD12 ' A' ' 695' ' ' LEU . 0.8 OUTLIER -111.25 93.12 4.32 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.972 -1.08 . . . . 0.0 110.173 179.775 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 697' ' ' GLN . . . . . 0.462 ' O ' ' HB3' ' A' ' 676' ' ' LYS . 1.8 tt0 -99.57 109.36 21.88 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.294 -0.879 . . . . 0.0 109.222 179.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . 0.591 ' HB3' ' CD2' ' A' ' 675' ' ' TYR . 0.7 OUTLIER -96.02 -167.27 1.56 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.097 -1.002 . . . . 0.0 111.051 -179.216 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 699' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.475 -0.766 . . . . 0.0 110.28 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.228 0.537 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 656' ' ' TRP . . . . . 0.646 ' CD2' ' CE2' ' A' ' 670' ' ' TYR . 50.0 t90 -55.07 145.52 20.56 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.2 -0.937 . . . . 0.0 110.219 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -120.7 137.36 54.52 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.329 -0.857 . . . . 0.0 110.049 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 658' ' ' VAL . . . . . 0.49 HG22 ' CZ3' ' A' ' 656' ' ' TRP . 3.7 t -76.16 144.67 11.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.219 -0.926 . . . . 0.0 110.116 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 659' ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' ' 658' ' ' VAL . 1.4 t-20 65.69 55.75 0.97 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.248 -0.907 . . . . 0.0 110.305 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 91.2 m -140.09 138.63 35.48 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.212 -0.93 . . . . 0.0 110.233 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -83.08 113.49 20.65 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.238 -0.913 . . . . 0.0 110.111 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 662' ' ' TYR . . . . . 0.459 ' O ' ' HA ' ' A' ' 680' ' ' PRO . 46.3 m-85 -102.46 152.42 21.14 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.216 -0.928 . . . . 0.0 110.38 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 663' ' ' THR . . . . . 0.461 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 23.3 p -99.87 162.91 12.7 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.376 -0.828 . . . . 0.0 110.243 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 664' ' ' ALA . . . . . 0.453 ' HB1' ' HA ' ' A' ' 679' ' ' GLN . . . -57.5 133.93 55.65 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.274 -0.891 . . . . 0.0 110.16 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 81.75 29.32 39.4 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . 0.526 ' CB ' ' HB2' ' A' ' 677' ' ' CYS . 1.0 OUTLIER -85.35 164.37 18.0 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.271 -1.135 . . . . 0.0 110.067 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 667' ' ' LEU . . . . . 0.482 ' CD1' ' C ' ' A' ' 667' ' ' LEU . 1.7 tm? -127.5 106.74 9.39 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.319 -0.863 . . . . 0.0 110.32 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 668' ' ' VAL . . . . . 0.526 HG21 ' CH2' ' A' ' 696' ' ' TRP . 2.9 m -118.11 167.24 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.153 -0.967 . . . . 0.0 109.952 179.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 669' ' ' THR . . . . . 0.502 ' HA ' ' O ' ' A' ' 673' ' ' LYS . 60.7 p -140.51 111.6 7.11 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.185 -0.947 . . . . 0.0 110.365 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 670' ' ' TYR . . . . . 0.646 ' CE2' ' CD2' ' A' ' 656' ' ' TRP . 78.3 m-85 -80.19 -167.13 1.2 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.112 -0.993 . . . . 0.0 109.762 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -54.77 92.11 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.187 -0.946 . . . . 0.0 110.308 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 672' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 670' ' ' TYR . . . 66.39 37.31 92.65 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 673' ' ' LYS . . . . . 0.502 ' O ' ' HA ' ' A' ' 669' ' ' THR . 6.9 mptt -140.13 148.78 42.17 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.315 -1.109 . . . . 0.0 110.328 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 674' ' ' THR . . . . . 0.445 ' O ' HD12 ' A' ' 698' ' ' LEU . 85.0 m -120.18 116.42 25.59 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.455 -0.778 . . . . 0.0 109.649 179.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 675' ' ' TYR . . . . . 0.596 ' CE2' ' HB2' ' A' ' 698' ' ' LEU . 27.6 m-85 -114.82 168.8 9.58 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.218 -0.926 . . . . 0.0 110.959 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . 0.473 ' HG3' HD22 ' A' ' 667' ' ' LEU . 0.0 OUTLIER -138.44 102.77 4.71 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.548 -0.72 . . . . 0.0 110.209 -179.704 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . 0.526 ' HB2' ' CB ' ' A' ' 666' ' ' GLN . 0.0 OUTLIER -58.29 143.88 43.15 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.127 -0.983 . . . . 0.0 110.065 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.443 ' O ' ' HB1' ' A' ' 664' ' ' ALA . 3.0 tp -116.36 -19.99 9.91 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.286 -0.884 . . . . 0.0 110.649 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 679' ' ' GLN . . . . . 0.453 ' HA ' ' HB1' ' A' ' 664' ' ' ALA . 11.8 mm100 -135.84 143.36 44.16 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 120.993 -1.067 . . . . 0.0 110.571 -179.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 680' ' ' PRO . . . . . 0.461 ' HA ' ' HA ' ' A' ' 663' ' ' THR . 2.8 Cg_endo -63.35 92.76 0.16 Allowed 'Trans proline' 0 C--N 1.314 -1.246 0 O-C-N 123.582 1.307 . . . . 0.0 110.228 179.651 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 681' ' ' HIS . . . . . 0.4 ' NE2' ' HB3' ' A' ' 679' ' ' GLN . 10.5 m-70 -131.0 -166.07 1.65 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.248 -0.908 . . . . 0.0 110.355 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 4.1 m -126.03 118.96 26.42 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.256 -0.903 . . . . 0.0 110.343 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 49.4 m -90.08 140.44 29.65 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.239 -0.913 . . . . 0.0 109.717 179.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . 0.628 ' N ' ' CD1' ' A' ' 684' ' ' LEU . 0.0 OUTLIER -137.22 -167.67 2.15 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.262 -0.899 . . . . 0.0 110.888 -179.652 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -67.01 82.05 0.11 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.347 -0.846 . . . . 0.0 110.26 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 686' ' ' GLY . . . . . 0.428 ' O ' ' HD2' ' A' ' 689' ' ' PRO . . . 164.87 -31.48 0.24 Allowed Glycine 0 N--CA 1.489 2.223 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 2.3 m0 -86.72 32.89 0.65 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.117 -1.225 . . . . 0.0 110.464 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 688' ' ' GLU . . . . . 0.612 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 2.5 mt-10 -86.31 -45.83 0.57 Allowed Pre-proline 0 N--CA 1.494 1.762 0 O-C-N 121.168 -0.957 . . . . 0.0 110.704 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 689' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.8 Cg_endo -68.41 -6.36 17.37 Favored 'Trans proline' 0 C--N 1.315 -1.186 0 O-C-N 123.21 1.11 . . . . 0.0 110.05 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 690' ' ' SER . . . . . 0.495 ' O ' ' OG ' ' A' ' 690' ' ' SER . 1.3 p 68.72 56.48 0.44 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.439 -0.788 . . . . 0.0 109.81 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -79.56 6.34 10.73 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.23 -0.919 . . . . 0.0 110.569 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 692' ' ' VAL . . . . . 0.499 HG21 ' CD1' ' A' ' 695' ' ' LEU . 18.3 m -137.89 81.69 27.44 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.071 -1.018 . . . . 0.0 110.521 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.05 -20.99 70.15 Favored 'Trans proline' 0 C--N 1.311 -1.435 0 O-C-N 123.745 1.392 . . . . 0.0 110.534 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -49.87 -37.72 32.36 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.209 -0.932 . . . . 0.0 110.12 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 695' ' ' LEU . . . . . 0.584 HD12 ' CG ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -122.68 -12.15 8.13 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.26 -0.9 . . . . 0.0 110.311 -179.917 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 696' ' ' TRP . . . . . 0.584 ' CG ' HD12 ' A' ' 695' ' ' LEU . 0.8 OUTLIER -103.66 101.47 11.32 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.002 -1.061 . . . . 0.0 110.024 179.552 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 697' ' ' GLN . . . . . 0.4 ' O ' ' HB2' ' A' ' 676' ' ' LYS . 35.1 tp60 -100.93 97.54 8.12 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.193 -0.942 . . . . 0.0 110.158 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . 0.596 ' HB2' ' CE2' ' A' ' 675' ' ' TYR . 20.5 tp -75.01 160.26 30.75 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.162 -0.961 . . . . 0.0 110.246 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 699' ' ' GLN . . . . . 0.523 ' N ' ' HG ' ' A' ' 698' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.238 -0.914 . . . . 0.0 110.164 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . 0.451 ' HA ' ' OG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.247 0.546 . . . . 0.0 110.191 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 656' ' ' TRP . . . . . 0.505 ' CD2' ' CE2' ' A' ' 670' ' ' TYR . 67.1 t90 -76.23 155.61 34.27 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.232 -0.917 . . . . 0.0 110.222 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -151.98 119.07 5.86 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.254 -0.903 . . . . 0.0 110.013 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 658' ' ' VAL . . . . . . . . . . . . . 3.1 p -50.98 149.87 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.181 -0.949 . . . . 0.0 110.254 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 60.95 52.29 4.21 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.279 -0.888 . . . . 0.0 110.026 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 660' ' ' THR . . . . . 0.475 HG22 ' CZ ' ' A' ' 662' ' ' TYR . 50.5 m -140.22 139.37 35.61 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.256 -0.903 . . . . 0.0 110.407 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -77.69 143.54 38.03 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.184 -0.948 . . . . 0.0 110.353 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 662' ' ' TYR . . . . . 0.475 ' CZ ' HG22 ' A' ' 660' ' ' THR . 29.0 m-85 -137.82 148.79 45.79 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.29 -0.881 . . . . 0.0 110.274 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 40.6 p -100.03 178.36 4.82 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.255 -0.903 . . . . 0.0 110.093 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 664' ' ' ALA . . . . . 0.534 ' CB ' ' HD3' ' A' ' 680' ' ' PRO . . . -81.83 131.47 35.26 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.228 -0.92 . . . . 0.0 110.195 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 85.97 26.93 32.88 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . 0.444 ' O ' ' HG ' ' A' ' 667' ' ' LEU . 0.0 OUTLIER -89.14 -178.2 5.61 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.144 -1.209 . . . . 0.0 109.815 179.773 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 667' ' ' LEU . . . . . 0.46 ' HA ' ' HA ' ' A' ' 676' ' ' LYS . 9.1 mt -142.68 99.38 3.47 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.014 -1.054 . . . . 0.0 110.907 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 668' ' ' VAL . . . . . 0.464 ' O ' HG21 ' A' ' 669' ' ' THR . 3.4 m -107.02 174.85 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.353 -0.842 . . . . 0.0 109.463 179.331 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 669' ' ' THR . . . . . 0.489 ' HA ' ' O ' ' A' ' 673' ' ' LYS . 68.1 p -139.75 127.01 21.24 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.951 -1.093 . . . . 0.0 110.22 179.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 670' ' ' TYR . . . . . 0.554 ' CE2' ' HA ' ' A' ' 688' ' ' GLU . 87.9 m-85 -95.22 91.82 6.47 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.089 -1.007 . . . . 0.0 110.514 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 43.53 85.09 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.32 -0.862 . . . . 0.0 110.726 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . 69.64 3.29 40.6 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 673' ' ' LYS . . . . . 0.512 ' CG ' ' O ' ' A' ' 670' ' ' TYR . 3.4 mmtm -102.78 142.68 33.51 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.042 -1.269 . . . . 0.0 110.489 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 674' ' ' THR . . . . . 0.446 ' HB ' ' HG3' ' A' ' 699' ' ' GLN . 0.2 OUTLIER -104.25 115.68 30.82 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.34 -0.85 . . . . 0.0 109.934 179.754 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 675' ' ' TYR . . . . . 0.637 ' CE2' ' CB ' ' A' ' 690' ' ' SER . 17.9 m-85 -133.47 164.37 27.29 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.291 -0.88 . . . . 0.0 110.855 -179.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 667' ' ' LEU . 0.0 OUTLIER -141.24 143.02 33.91 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.519 -0.738 . . . . 0.0 109.74 179.584 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . 0.527 ' O ' ' N ' ' A' ' 665' ' ' GLY . 4.9 t -87.68 144.22 26.76 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.091 -1.006 . . . . 0.0 109.979 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.462 ' O ' ' HB3' ' A' ' 664' ' ' ALA . 0.0 OUTLIER -109.97 -22.52 11.8 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.229 -0.919 . . . . 0.0 110.231 -179.896 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 679' ' ' GLN . . . . . 0.417 ' HA ' ' HB3' ' A' ' 664' ' ' ALA . 2.1 mt-30 -133.91 143.44 47.47 Favored Pre-proline 0 N--CA 1.493 1.696 0 O-C-N 121.296 -0.878 . . . . 0.0 110.249 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 680' ' ' PRO . . . . . 0.534 ' HD3' ' CB ' ' A' ' 664' ' ' ALA . 2.8 Cg_endo -62.99 100.44 0.25 Allowed 'Trans proline' 0 C--N 1.312 -1.386 0 O-C-N 123.562 1.296 . . . . 0.0 110.467 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 681' ' ' HIS . . . . . 0.507 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 7.6 m-70 -139.81 -173.12 3.55 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.209 -0.932 . . . . 0.0 110.059 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 42.3 m -118.25 121.92 41.66 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.135 -0.978 . . . . 0.0 110.26 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 683' ' ' SER . . . . . 0.418 ' OG ' ' NE1' ' A' ' 656' ' ' TRP . 1.2 t -71.3 144.23 50.04 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.266 -0.896 . . . . 0.0 109.883 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 686' ' ' GLY . 0.8 OUTLIER -146.77 -177.17 5.51 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.27 -0.894 . . . . 0.0 110.584 -179.877 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -64.25 73.23 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.391 -0.818 . . . . 0.0 110.241 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 686' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 176.75 -33.23 0.08 OUTLIER Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 37.9 m0 -86.59 33.03 0.64 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.219 -1.165 . . . . 0.0 110.296 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 688' ' ' GLU . . . . . 0.587 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.9 mt-10 -89.62 -48.71 0.39 Allowed Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 121.187 -0.945 . . . . 0.0 110.428 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 689' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.5 Cg_endo -70.46 -4.64 14.9 Favored 'Trans proline' 0 C--N 1.313 -1.291 0 O-C-N 123.242 1.127 . . . . 0.0 109.942 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 690' ' ' SER . . . . . 0.637 ' CB ' ' CE2' ' A' ' 675' ' ' TYR . 0.1 OUTLIER 56.72 44.8 22.99 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.365 -0.835 . . . . 0.0 109.471 -179.295 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -79.93 6.59 10.85 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.451 -0.781 . . . . 0.0 110.009 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 692' ' ' VAL . . . . . 0.523 ' CG2' HD11 ' A' ' 695' ' ' LEU . 6.7 m -122.8 81.5 49.23 Favored Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.311 -0.868 . . . . 0.0 109.884 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -61.37 -15.58 41.59 Favored 'Trans proline' 0 C--N 1.309 -1.501 0 O-C-N 123.788 1.415 . . . . 0.0 110.277 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -57.6 -27.05 62.38 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.327 -0.858 . . . . 0.0 110.494 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 695' ' ' LEU . . . . . 0.572 HD12 ' N ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -140.99 5.05 1.91 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.132 -0.98 . . . . 0.0 111.002 179.921 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 696' ' ' TRP . . . . . 0.572 ' N ' HD12 ' A' ' 695' ' ' LEU . 2.1 m95 -129.18 92.94 3.47 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.036 -1.04 . . . . 0.0 110.471 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -100.95 135.22 42.75 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.219 -0.926 . . . . 0.0 109.619 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . 0.6 ' HB3' ' CE2' ' A' ' 675' ' ' TYR . 0.9 OUTLIER -114.12 -172.36 2.08 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.868 -1.145 . . . . 0.0 110.974 -179.373 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 699' ' ' GLN . . . . . 0.446 ' HG3' ' HB ' ' A' ' 674' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.489 -0.757 . . . . 0.0 110.212 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . 0.473 ' HA ' ' OG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.113 0.482 . . . . 0.0 110.074 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 656' ' ' TRP . . . . . 0.501 ' CD2' ' CE1' ' A' ' 670' ' ' TYR . 52.2 t90 -63.74 138.59 58.55 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.176 -0.953 . . . . 0.0 110.205 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 657' ' ' GLN . . . . . 0.408 ' O ' ' OG1' ' A' ' 660' ' ' THR . 71.7 mt-30 -122.47 116.43 23.93 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.355 -0.841 . . . . 0.0 110.152 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 658' ' ' VAL . . . . . . . . . . . . . 2.8 p -59.13 155.45 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.253 -0.904 . . . . 0.0 110.181 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 48.69 63.27 2.17 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.322 -0.861 . . . . 0.0 109.859 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 660' ' ' THR . . . . . 0.413 ' O ' ' HA ' ' A' ' 682' ' ' THR . 29.8 m -140.32 158.12 44.52 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.319 -0.863 . . . . 0.0 110.403 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -99.18 112.9 24.94 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.328 -0.858 . . . . 0.0 110.236 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -113.86 138.5 50.22 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.237 -0.914 . . . . 0.0 110.166 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 663' ' ' THR . . . . . 0.464 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 60.4 p -100.43 149.35 23.75 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.268 -0.895 . . . . 0.0 110.11 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 664' ' ' ALA . . . . . 0.529 ' CB ' ' HD3' ' A' ' 680' ' ' PRO . . . -42.68 132.95 3.61 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.281 -0.887 . . . . 0.0 110.292 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 92.92 21.33 30.99 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.767 -1.333 . . . . 0.0 109.767 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . 0.536 ' CB ' ' HB2' ' A' ' 677' ' ' CYS . 1.1 mm-40 -88.48 -179.64 6.12 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.185 -1.185 . . . . 0.0 109.99 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 667' ' ' LEU . . . . . 0.456 ' HA ' ' HA ' ' A' ' 676' ' ' LYS . 3.3 mt -147.12 116.26 6.92 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.109 -0.994 . . . . 0.0 110.62 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 668' ' ' VAL . . . . . 0.467 ' HB ' ' HA ' ' A' ' 656' ' ' TRP . 3.1 m -124.45 169.37 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.381 -0.824 . . . . 0.0 109.731 179.641 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 669' ' ' THR . . . . . 0.473 ' OG1' ' HA ' ' A' ' 655' ' ' ALA . 1.6 p -140.69 115.22 9.45 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.157 -0.964 . . . . 0.0 110.225 179.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 670' ' ' TYR . . . . . 0.532 ' CE1' ' HA ' ' A' ' 688' ' ' GLU . 97.7 m-85 -86.51 -161.74 0.69 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.191 -0.943 . . . . 0.0 109.95 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . 0.426 ' OD1' ' C ' ' A' ' 671' ' ' ASN . 8.8 t-20 -45.19 93.34 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.267 -0.896 . . . . 0.0 110.068 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 672' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 670' ' ' TYR . . . 50.82 32.56 26.12 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.407 -1.477 . . . . 0.0 109.407 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 673' ' ' LYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 669' ' ' THR . 0.1 OUTLIER -120.16 141.03 50.24 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.311 -1.111 . . . . 0.0 110.445 -179.715 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 674' ' ' THR . . . . . 0.47 ' O ' ' HB2' ' A' ' 698' ' ' LEU . 0.2 OUTLIER -103.04 119.35 38.69 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.169 -0.957 . . . . 0.0 109.853 179.59 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 675' ' ' TYR . . . . . 0.583 ' CE2' HD22 ' A' ' 698' ' ' LEU . 25.8 m-85 -132.13 160.96 34.48 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.115 -0.991 . . . . 0.0 110.896 -179.446 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . 0.537 ' CG ' ' HB3' ' A' ' 697' ' ' GLN . 0.5 OUTLIER -140.5 138.53 34.66 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.481 -0.762 . . . . 0.0 109.597 179.303 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . 0.536 ' HB2' ' CB ' ' A' ' 666' ' ' GLN . 0.0 OUTLIER -80.4 133.75 35.93 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.159 -0.963 . . . . 0.0 110.595 -179.495 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.461 ' O ' ' HB1' ' A' ' 664' ' ' ALA . 3.6 mm? -105.47 -21.08 13.29 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.304 -0.873 . . . . 0.0 110.121 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 679' ' ' GLN . . . . . 0.457 ' HA ' ' HB1' ' A' ' 664' ' ' ALA . 38.5 mt-30 -133.35 142.92 45.99 Favored Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.25 -0.906 . . . . 0.0 109.974 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 680' ' ' PRO . . . . . 0.529 ' HD3' ' CB ' ' A' ' 664' ' ' ALA . 2.9 Cg_endo -60.35 94.9 0.1 Allowed 'Trans proline' 0 C--N 1.312 -1.389 0 O-C-N 123.583 1.307 . . . . 0.0 110.914 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 681' ' ' HIS . . . . . 0.43 ' HB3' ' CZ3' ' A' ' 687' ' ' TRP . 11.4 m-70 -137.01 163.7 30.11 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.201 -0.937 . . . . 0.0 110.109 179.691 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 682' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 660' ' ' THR . 97.0 m -100.58 128.95 46.47 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.267 -0.896 . . . . 0.0 110.425 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.6 151.61 37.8 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.307 -0.871 . . . . 0.0 110.112 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . 0.551 ' CD2' ' N ' ' A' ' 684' ' ' LEU . 1.0 OUTLIER -153.37 179.27 8.92 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.324 -0.86 . . . . 0.0 110.421 179.897 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -64.56 69.75 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.24 -0.912 . . . . 0.0 110.165 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 686' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . -178.22 -32.97 0.05 OUTLIER Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 687' ' ' TRP . . . . . 0.43 ' CZ3' ' HB3' ' A' ' 681' ' ' HIS . 36.1 m0 -87.64 35.09 0.71 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.251 -1.147 . . . . 0.0 110.066 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 688' ' ' GLU . . . . . 0.584 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.1 mt-10 -89.84 -48.72 0.39 Allowed Pre-proline 0 N--CA 1.494 1.743 0 O-C-N 121.258 -0.901 . . . . 0.0 110.181 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 689' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.8 Cg_endo -71.73 -5.64 17.48 Favored 'Trans proline' 0 C--N 1.314 -1.283 0 O-C-N 123.217 1.114 . . . . 0.0 109.957 179.573 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 690' ' ' SER . . . . . 0.43 ' HB3' ' CE2' ' A' ' 675' ' ' TYR . 0.7 OUTLIER 64.16 61.54 0.91 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.394 -0.816 . . . . 0.0 110.124 -179.872 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -85.85 14.02 6.56 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.324 -0.86 . . . . 0.0 110.42 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 692' ' ' VAL . . . . . 0.489 ' CG2' HD13 ' A' ' 695' ' ' LEU . 17.9 m -140.05 76.96 26.63 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.041 -1.037 . . . . 0.0 110.547 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -60.84 -20.76 67.92 Favored 'Trans proline' 0 C--N 1.31 -1.488 0 O-C-N 123.594 1.313 . . . . 0.0 110.435 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -55.16 -40.48 70.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.334 -0.854 . . . . 0.0 110.316 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 695' ' ' LEU . . . . . 0.585 HD11 ' CG ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -113.94 -14.49 12.45 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.099 -1.001 . . . . 0.0 110.008 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 696' ' ' TRP . . . . . 0.585 ' CG ' HD11 ' A' ' 695' ' ' LEU . 0.5 OUTLIER -106.25 99.91 9.47 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.289 -0.882 . . . . 0.0 109.552 179.292 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 697' ' ' GLN . . . . . 0.537 ' HB3' ' CG ' ' A' ' 676' ' ' LYS . 5.1 tp60 -99.45 113.25 25.5 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.17 -0.956 . . . . 0.0 110.126 -179.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . 0.583 HD22 ' CE2' ' A' ' 675' ' ' TYR . 0.5 OUTLIER -105.3 -173.66 2.35 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.212 -0.93 . . . . 0.0 110.418 -179.758 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 699' ' ' GLN . . . . . 0.505 ' N ' HD13 ' A' ' 698' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.511 0 O-C-N 121.308 -0.87 . . . . 0.0 110.175 -179.903 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . 0.425 ' HA ' ' OG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.17 0.51 . . . . 0.0 110.212 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 656' ' ' TRP . . . . . 0.569 ' CD2' ' CE2' ' A' ' 670' ' ' TYR . 84.4 t90 -66.1 154.62 39.12 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.228 -0.92 . . . . 0.0 110.167 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -139.25 158.29 44.42 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.232 -0.918 . . . . 0.0 110.165 179.887 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 658' ' ' VAL . . . . . 0.505 HG23 ' CZ3' ' A' ' 656' ' ' TRP . 15.0 t -89.62 148.05 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.296 -0.878 . . . . 0.0 110.439 -179.631 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 62.3 52.46 3.1 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.226 -0.922 . . . . 0.0 110.124 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 92.7 m -133.51 160.53 37.17 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.263 -0.898 . . . . 0.0 110.49 -179.802 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -101.64 131.55 47.81 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.246 -0.909 . . . . 0.0 110.132 179.787 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -126.63 151.89 47.41 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.2 -0.937 . . . . 0.0 110.314 -179.787 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 33.9 p -104.08 172.56 6.73 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.292 -0.88 . . . . 0.0 109.916 179.82 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 664' ' ' ALA . . . . . 0.487 ' HB3' ' HA ' ' A' ' 679' ' ' GLN . . . -70.65 127.02 31.26 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.256 -0.902 . . . . 0.0 110.416 -179.808 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 94.28 27.54 11.88 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 179.736 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . 0.511 ' CB ' ' HB2' ' A' ' 677' ' ' CYS . 0.0 OUTLIER -90.7 172.17 8.85 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.244 -1.151 . . . . 0.0 110.483 -179.896 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 667' ' ' LEU . . . . . 0.404 HD21 ' HG3' ' A' ' 676' ' ' LYS . 1.6 mt -132.46 116.41 16.75 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.386 -0.821 . . . . 0.0 109.811 179.622 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 668' ' ' VAL . . . . . 0.566 HG23 ' CE1' ' A' ' 670' ' ' TYR . 2.4 m -123.22 164.68 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.037 -1.039 . . . . 0.0 110.384 -179.718 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 669' ' ' THR . . . . . 0.425 ' OG1' ' HA ' ' A' ' 655' ' ' ALA . 0.4 OUTLIER -140.86 122.68 15.37 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.246 -0.908 . . . . 0.0 110.104 179.671 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 670' ' ' TYR . . . . . 0.569 ' CE2' ' CD2' ' A' ' 656' ' ' TRP . 64.8 m-85 -92.12 73.98 5.48 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.147 -0.97 . . . . 0.0 110.036 179.822 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 670' ' ' TYR . 53.0 m-20 36.87 81.8 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.69 -0.632 . . . . 0.0 110.951 179.716 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . 107.45 -34.53 5.61 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.807 -1.317 . . . . 0.0 109.807 179.744 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 673' ' ' LYS . . . . . 0.479 ' HB2' ' HB2' ' A' ' 670' ' ' TYR . 8.4 mmtm -103.07 160.33 14.73 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.107 -1.231 . . . . 0.0 110.556 -179.761 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 674' ' ' THR . . . . . 0.4 ' HB ' ' CG ' ' A' ' 699' ' ' GLN . 1.5 m -138.24 125.48 21.65 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.402 -0.811 . . . . 0.0 109.855 179.876 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 675' ' ' TYR . . . . . 0.567 ' CE2' ' CB ' ' A' ' 690' ' ' SER . 52.8 m-85 -122.39 -179.08 4.07 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.102 -0.998 . . . . 0.0 110.534 -179.899 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 697' ' ' GLN . 0.5 OUTLIER -140.48 113.1 8.06 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.343 -0.848 . . . . 0.0 110.39 -179.745 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . 0.511 ' HB2' ' CB ' ' A' ' 666' ' ' GLN . 0.1 OUTLIER -61.09 133.12 55.71 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.153 -0.967 . . . . 0.0 109.821 179.579 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.455 ' O ' ' HB3' ' A' ' 664' ' ' ALA . 0.9 OUTLIER -110.29 -18.49 13.26 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.293 -0.879 . . . . 0.0 110.426 -179.676 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 679' ' ' GLN . . . . . 0.487 ' HA ' ' HB3' ' A' ' 664' ' ' ALA . 0.5 OUTLIER -144.36 149.92 46.23 Favored Pre-proline 0 N--CA 1.49 1.551 0 O-C-N 121.241 -0.912 . . . . 0.0 110.422 -179.704 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 680' ' ' PRO . . . . . 0.466 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.3 Cg_exo -58.04 105.72 0.22 Allowed 'Trans proline' 0 C--N 1.312 -1.394 0 O-C-N 123.724 1.381 . . . . 0.0 110.642 179.758 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 681' ' ' HIS . . . . . 0.444 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 9.9 m80 -146.16 167.79 22.57 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.224 -0.923 . . . . 0.0 110.249 -179.884 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 54.9 m -106.18 126.98 52.88 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.254 -0.904 . . . . 0.0 110.39 -179.802 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 35.3 p -78.91 145.35 34.14 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.28 -0.888 . . . . 0.0 109.972 179.716 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 686' ' ' GLY . 1.1 pt? -146.03 171.49 14.8 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.256 -0.902 . . . . 0.0 110.756 -179.778 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -63.15 75.51 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.314 -0.866 . . . . 0.0 110.135 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 686' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 173.72 -32.48 0.11 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.252 -1.539 . . . . 0.0 109.252 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 18.1 m0 -89.09 38.19 0.88 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.327 -1.102 . . . . 0.0 109.903 179.86 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 688' ' ' GLU . . . . . 0.607 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.7 mt-10 -87.98 -47.34 0.46 Allowed Pre-proline 0 N--CA 1.496 1.847 0 O-C-N 121.429 -0.794 . . . . 0.0 110.694 -179.878 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 689' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.8 Cg_endo -69.63 -3.51 12.08 Favored 'Trans proline' 0 C--N 1.316 -1.175 0 O-C-N 123.235 1.124 . . . . 0.0 110.467 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 690' ' ' SER . . . . . 0.567 ' CB ' ' CE2' ' A' ' 675' ' ' TYR . 1.5 p 64.3 56.28 1.34 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.303 -0.873 . . . . 0.0 109.703 -179.612 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 691' ' ' ASN . . . . . 0.44 ' O ' HG13 ' A' ' 692' ' ' VAL . 1.7 m-80 -81.92 13.67 3.17 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.286 -0.884 . . . . 0.0 110.855 -179.372 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 692' ' ' VAL . . . . . 0.467 ' O ' HG23 ' A' ' 692' ' ' VAL . 17.2 m -140.15 83.11 16.12 Favored Pre-proline 0 N--CA 1.494 1.727 0 O-C-N 120.97 -1.081 . . . . 0.0 110.529 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.11 -12.6 23.73 Favored 'Trans proline' 0 C--N 1.31 -1.473 0 O-C-N 123.654 1.344 . . . . 0.0 110.379 179.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -58.55 -39.39 80.08 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.318 -0.864 . . . . 0.0 110.457 -179.885 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 695' ' ' LEU . . . . . 0.576 HD12 ' CG ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -123.46 -11.5 7.85 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.238 -0.914 . . . . 0.0 110.211 -179.793 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 696' ' ' TRP . . . . . 0.576 ' CG ' HD12 ' A' ' 695' ' ' LEU . 0.4 OUTLIER -103.9 108.16 19.36 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.224 -0.923 . . . . 0.0 110.153 179.512 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 697' ' ' GLN . . . . . 0.473 ' O ' ' HB2' ' A' ' 676' ' ' LYS . 5.7 tt0 -99.94 93.92 6.02 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.156 -0.965 . . . . 0.0 109.82 179.828 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . 0.533 ' HB2' ' CE2' ' A' ' 675' ' ' TYR . 19.9 tp -70.49 154.21 42.12 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.185 -0.947 . . . . 0.0 110.426 -179.553 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 699' ' ' GLN . . . . . 0.417 ' N ' ' HG ' ' A' ' 698' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.351 -0.843 . . . . 0.0 110.283 -179.91 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . 0.465 ' HA ' ' OG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.193 0.52 . . . . 0.0 110.17 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 656' ' ' TRP . . . . . 0.639 ' CD1' ' CZ ' ' A' ' 670' ' ' TYR . 55.3 t90 -57.61 131.8 51.32 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.269 -0.895 . . . . 0.0 109.939 179.871 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -107.5 142.77 36.85 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.26 -0.9 . . . . 0.0 110.456 -179.671 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 658' ' ' VAL . . . . . 0.4 ' O ' ' HB2' ' A' ' 659' ' ' ASN . 8.5 p -79.19 154.02 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.248 -0.908 . . . . 0.0 110.246 179.937 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 659' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 658' ' ' VAL . 3.2 m120 55.78 55.39 7.13 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.238 -0.914 . . . . 0.0 109.779 -179.75 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 21.9 m -139.92 154.55 47.27 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.311 -0.868 . . . . 0.0 110.332 -179.475 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -97.85 122.81 41.41 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.32 -0.862 . . . . 0.0 110.164 179.861 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -112.68 167.78 10.2 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.328 -0.857 . . . . 0.0 110.22 179.865 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.92 -172.7 2.13 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.359 -0.838 . . . . 0.0 110.114 179.828 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 664' ' ' ALA . . . . . 0.409 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -81.4 151.07 28.09 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.208 -0.933 . . . . 0.0 110.572 -179.526 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . 0.421 ' CA ' ' O ' ' A' ' 677' ' ' CYS . . . 55.3 34.92 59.65 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 179.878 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . 0.475 ' HB2' ' CB ' ' A' ' 677' ' ' CYS . 0.0 OUTLIER -85.4 175.19 9.01 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.294 -1.121 . . . . 0.0 110.308 179.923 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 667' ' ' LEU . . . . . 0.497 ' CD1' ' C ' ' A' ' 667' ' ' LEU . 3.0 tm? -130.52 117.56 19.79 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.266 -0.896 . . . . 0.0 110.34 -179.828 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 668' ' ' VAL . . . . . 0.453 HG21 ' CE1' ' A' ' 670' ' ' TYR . 3.2 m -129.98 177.47 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.223 -0.923 . . . . 0.0 110.214 179.947 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 669' ' ' THR . . . . . 0.472 ' HA ' ' O ' ' A' ' 673' ' ' LYS . 0.9 OUTLIER -140.85 120.47 13.31 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.166 -0.959 . . . . 0.0 109.985 179.769 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 670' ' ' TYR . . . . . 0.639 ' CZ ' ' CD1' ' A' ' 656' ' ' TRP . 65.3 m-85 -95.59 92.16 6.49 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.0 -1.062 . . . . 0.0 110.884 -179.599 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 670' ' ' TYR . 41.9 t30 40.69 86.75 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.305 -0.872 . . . . 0.0 111.26 179.324 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . 71.4 2.05 46.9 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 110.342 -1.103 . . . . 0.0 110.342 179.125 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 673' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 670' ' ' TYR . 16.2 mmtp -112.49 157.26 21.33 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.989 -1.3 . . . . 0.0 110.237 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 674' ' ' THR . . . . . . . . . . . . . 12.0 m -123.95 123.83 41.26 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.328 -0.858 . . . . 0.0 109.682 179.659 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 675' ' ' TYR . . . . . 0.414 ' CZ ' HD12 ' A' ' 698' ' ' LEU . 19.7 m-85 -125.08 170.98 10.65 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.213 -0.93 . . . . 0.0 110.599 -179.475 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . 0.464 ' HA ' ' O ' ' A' ' 666' ' ' GLN . 0.3 OUTLIER -140.37 103.4 4.56 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.372 -0.83 . . . . 0.0 110.014 -179.802 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . 0.475 ' CB ' ' HB2' ' A' ' 666' ' ' GLN . 0.1 OUTLIER -52.08 148.08 6.63 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.224 -0.922 . . . . 0.0 110.258 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.457 ' O ' ' HG3' ' A' ' 679' ' ' GLN . 0.8 OUTLIER -119.65 -8.19 9.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.24 -0.913 . . . . 0.0 110.097 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 679' ' ' GLN . . . . . 0.457 ' HG3' ' O ' ' A' ' 678' ' ' LEU . 0.1 OUTLIER -160.0 154.53 20.47 Favored Pre-proline 0 N--CA 1.49 1.552 0 O-C-N 121.187 -0.945 . . . . 0.0 110.464 179.93 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 680' ' ' PRO . . . . . 0.546 ' O ' ' CG ' ' A' ' 681' ' ' HIS . 3.2 Cg_exo -60.63 116.21 3.19 Favored 'Trans proline' 0 C--N 1.312 -1.38 0 O-C-N 123.825 1.434 . . . . 0.0 110.981 -179.932 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 681' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 680' ' ' PRO . 51.0 m-70 -156.93 177.05 11.95 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.215 -0.928 . . . . 0.0 110.398 179.711 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 682' ' ' THR . . . . . 0.428 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 22.7 m -116.26 121.49 42.16 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.232 -0.918 . . . . 0.0 110.593 -179.591 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 1.4 m -79.38 143.34 35.18 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.222 -0.924 . . . . 0.0 110.036 179.769 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . 0.467 ' O ' HD22 ' A' ' 684' ' ' LEU . 0.5 OUTLIER -149.24 -177.47 5.85 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.263 -0.898 . . . . 0.0 110.507 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -60.25 85.63 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.331 -0.856 . . . . 0.0 110.167 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 686' ' ' GLY . . . . . 0.426 ' O ' ' HD2' ' A' ' 689' ' ' PRO . . . 158.81 -36.51 0.5 Allowed Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.764 -1.334 . . . . 0.0 109.764 179.899 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 687' ' ' TRP . . . . . 0.428 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 34.3 m0 -85.75 31.88 0.6 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.147 -1.208 . . . . 0.0 110.671 -179.696 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 688' ' ' GLU . . . . . 0.598 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 0.6 OUTLIER -87.55 -48.01 0.47 Allowed Pre-proline 0 N--CA 1.494 1.748 0 O-C-N 121.052 -1.03 . . . . 0.0 110.477 179.976 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 689' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.9 Cg_endo -69.97 -5.6 16.73 Favored 'Trans proline' 0 C--N 1.314 -1.288 0 O-C-N 123.264 1.139 . . . . 0.0 110.239 179.756 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 690' ' ' SER . . . . . 0.5 ' OG ' ' O ' ' A' ' 690' ' ' SER . 1.5 p 68.22 61.04 0.4 Allowed 'General case' 0 N--CA 1.495 1.786 0 CA-C-O 121.671 0.748 . . . . 0.0 110.219 -179.775 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -81.79 0.35 39.62 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.045 -1.034 . . . . 0.0 110.714 -179.861 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 692' ' ' VAL . . . . . 0.531 ' CG2' HD12 ' A' ' 695' ' ' LEU . 6.6 m -128.97 83.07 67.35 Favored Pre-proline 0 N--CA 1.493 1.7 0 O-C-N 121.04 -1.037 . . . . 0.0 110.426 -179.66 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -59.48 -26.26 81.39 Favored 'Trans proline' 0 C--N 1.31 -1.468 0 O-C-N 123.736 1.387 . . . . 0.0 110.681 -179.869 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -50.81 -40.04 54.56 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.306 -0.871 . . . . 0.0 110.444 -179.838 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 695' ' ' LEU . . . . . 0.608 HD13 ' CG ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -120.57 -11.79 9.02 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.098 -1.001 . . . . 0.0 110.886 -179.691 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 696' ' ' TRP . . . . . 0.608 ' CG ' HD13 ' A' ' 695' ' ' LEU . 0.3 OUTLIER -110.11 109.0 19.37 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.973 -1.079 . . . . 0.0 110.058 179.407 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 697' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' A' ' 698' ' ' LEU . 6.8 tp60 -100.02 156.81 16.96 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.263 -0.898 . . . . 0.0 109.752 179.809 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . 0.475 ' O ' ' HG2' ' A' ' 699' ' ' GLN . 19.1 tp -128.33 153.62 46.83 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.081 -1.012 . . . . 0.0 110.325 -179.756 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 699' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 698' ' ' LEU . 19.2 mt-30 . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.478 -0.764 . . . . 0.0 110.275 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . 0.447 ' HB3' ' OG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.223 0.535 . . . . 0.0 110.241 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 656' ' ' TRP . . . . . 0.557 ' CZ3' HG13 ' A' ' 658' ' ' VAL . 91.6 t90 -74.72 141.9 44.45 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.318 -0.864 . . . . 0.0 110.221 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -139.61 140.2 36.93 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.181 -0.949 . . . . 0.0 110.242 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 658' ' ' VAL . . . . . 0.557 HG13 ' CZ3' ' A' ' 656' ' ' TRP . 24.7 m -70.79 164.55 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.296 -0.878 . . . . 0.0 110.056 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 659' ' ' ASN . . . . . 0.407 ' O ' ' CG ' ' A' ' 659' ' ' ASN . 21.1 t30 48.99 45.12 22.87 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.291 -0.881 . . . . 0.0 109.707 -179.741 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 23.0 m -138.91 122.51 17.4 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.37 -0.831 . . . . 0.0 110.321 -179.796 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . 0.47 ' HA ' ' HA ' ' A' ' 682' ' ' THR . . . -75.31 137.01 40.86 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.273 -0.892 . . . . 0.0 110.203 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 662' ' ' TYR . . . . . 0.466 ' O ' ' HA ' ' A' ' 680' ' ' PRO . 16.3 m-85 -121.96 162.93 20.2 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.245 -0.909 . . . . 0.0 110.199 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 663' ' ' THR . . . . . 0.445 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 12.1 p -107.04 -171.21 1.84 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.164 -0.96 . . . . 0.0 110.264 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 664' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 678' ' ' LEU . . . -83.22 157.14 22.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.192 -0.943 . . . . 0.0 110.192 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 55.4 22.39 30.63 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 179.917 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . 0.449 ' HB3' ' CB ' ' A' ' 677' ' ' CYS . 9.8 tp-100 -79.39 171.12 15.6 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.182 -1.187 . . . . 0.0 110.085 179.895 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.17 126.41 40.99 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.219 -0.926 . . . . 0.0 110.392 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 668' ' ' VAL . . . . . . . . . . . . . 2.2 m -139.29 163.3 26.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.27 -0.893 . . . . 0.0 109.913 179.902 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 669' ' ' THR . . . . . 0.499 ' HA ' ' O ' ' A' ' 673' ' ' LYS . 3.1 p -140.53 119.97 13.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.119 -0.988 . . . . 0.0 110.072 179.525 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 670' ' ' TYR . . . . . 0.507 ' O ' ' N ' ' A' ' 672' ' ' GLY . 64.0 m-85 -79.76 89.88 5.22 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.171 -0.955 . . . . 0.0 110.157 -179.911 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 670' ' ' TYR . 9.5 m120 64.08 -69.83 0.08 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.373 -0.829 . . . . 0.0 110.046 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 672' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 670' ' ' TYR . . . -137.12 13.24 3.83 Favored Glycine 0 N--CA 1.488 2.15 0 N-CA-C 109.039 -1.624 . . . . 0.0 109.039 179.677 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 673' ' ' LYS . . . . . 0.499 ' O ' ' HA ' ' A' ' 669' ' ' THR . 3.7 mmtp -101.84 146.92 27.14 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.407 -1.055 . . . . 0.0 110.28 -179.804 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 674' ' ' THR . . . . . 0.432 ' HA ' HG21 ' A' ' 669' ' ' THR . 0.7 OUTLIER -99.68 132.15 45.2 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.374 -0.829 . . . . 0.0 109.447 179.353 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 675' ' ' TYR . . . . . 0.484 ' HA ' ' HA ' ' A' ' 698' ' ' LEU . 16.9 m-85 -145.29 157.42 44.06 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.957 -1.089 . . . . 0.0 111.064 -179.511 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . 0.457 ' HD3' ' NE2' ' A' ' 699' ' ' GLN . 0.0 OUTLIER -140.33 118.9 12.29 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.531 -0.731 . . . . 0.0 109.777 179.885 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . 0.479 ' O ' ' N ' ' A' ' 665' ' ' GLY . 0.6 OUTLIER -70.7 144.04 51.13 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.182 -0.949 . . . . 0.0 110.543 -179.616 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.461 ' O ' ' HB3' ' A' ' 664' ' ' ALA . 4.3 mp -108.66 -31.06 7.9 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.167 -0.958 . . . . 0.0 110.06 179.758 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 679' ' ' GLN . . . . . 0.418 ' HB3' ' NE2' ' A' ' 681' ' ' HIS . 0.0 OUTLIER -129.65 142.44 45.3 Favored Pre-proline 0 N--CA 1.492 1.659 0 O-C-N 121.259 -0.9 . . . . 0.0 110.191 -179.997 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 680' ' ' PRO . . . . . 0.524 ' O ' ' ND1' ' A' ' 681' ' ' HIS . 3.1 Cg_exo -60.88 107.39 0.44 Allowed 'Trans proline' 0 C--N 1.313 -1.294 0 O-C-N 123.46 1.242 . . . . 0.0 110.968 -179.905 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 681' ' ' HIS . . . . . 0.524 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 9.1 m-70 -139.1 -158.27 0.84 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.229 -0.919 . . . . 0.0 110.04 179.664 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 682' ' ' THR . . . . . 0.47 ' HA ' ' HA ' ' A' ' 661' ' ' ALA . 6.3 m -124.86 133.99 52.88 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.093 -1.005 . . . . 0.0 110.901 -179.478 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 683' ' ' SER . . . . . 0.499 ' OG ' ' NE1' ' A' ' 656' ' ' TRP . 0.5 OUTLIER -90.48 140.36 29.81 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.318 -0.864 . . . . 0.0 109.649 179.368 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . 0.563 ' CD2' ' N ' ' A' ' 684' ' ' LEU . 0.8 OUTLIER -155.93 179.31 9.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.258 -0.901 . . . . 0.0 110.67 -179.837 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -65.33 71.59 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.399 -0.813 . . . . 0.0 109.998 179.889 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 686' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . -178.2 -33.49 0.05 OUTLIER Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.199 -1.56 . . . . 0.0 109.199 -179.868 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 687' ' ' TRP . . . . . 0.429 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 38.0 m0 -88.53 37.29 0.82 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.286 -1.126 . . . . 0.0 109.97 179.767 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 688' ' ' GLU . . . . . 0.587 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 2.1 mt-10 -90.27 -47.92 0.38 Allowed Pre-proline 0 N--CA 1.495 1.798 0 O-C-N 121.37 -0.831 . . . . 0.0 110.951 -179.49 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 689' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.6 Cg_endo -70.01 -3.51 12.33 Favored 'Trans proline' 0 C--N 1.315 -1.198 0 O-C-N 123.199 1.105 . . . . 0.0 110.201 -179.908 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 690' ' ' SER . . . . . 0.455 ' OG ' ' O ' ' A' ' 689' ' ' PRO . 5.0 p 56.25 46.43 21.26 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.28 -0.888 . . . . 0.0 109.654 -179.223 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 691' ' ' ASN . . . . . 0.465 ' OD1' HG11 ' A' ' 692' ' ' VAL . 8.9 p30 -79.72 10.86 3.6 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.246 -0.909 . . . . 0.0 110.728 -179.754 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 692' ' ' VAL . . . . . 0.47 HG23 ' CD1' ' A' ' 695' ' ' LEU . 11.9 m -130.66 80.25 70.35 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.125 -0.984 . . . . 0.0 110.086 179.741 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -60.85 -19.72 63.25 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.773 1.407 . . . . 0.0 110.648 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -54.93 -28.89 54.51 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.217 -0.927 . . . . 0.0 110.275 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 695' ' ' LEU . . . . . 0.583 HD12 ' CG ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -136.12 -4.5 2.16 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.172 -0.955 . . . . 0.0 111.007 -179.69 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 696' ' ' TRP . . . . . 0.583 ' CG ' HD12 ' A' ' 695' ' ' LEU . 0.7 OUTLIER -120.4 120.97 37.5 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.928 -1.108 . . . . 0.0 110.854 -179.976 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 697' ' ' GLN . . . . . 0.517 ' HG2' ' N ' ' A' ' 698' ' ' LEU . 29.0 tt0 -116.43 157.83 24.5 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.396 -0.815 . . . . 0.0 109.179 179.196 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . 0.517 ' N ' ' HG2' ' A' ' 697' ' ' GLN . 1.0 OUTLIER -140.57 164.84 29.08 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.909 -1.119 . . . . 0.0 110.61 -179.973 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 699' ' ' GLN . . . . . 0.457 ' NE2' ' HD3' ' A' ' 676' ' ' LYS . 1.0 OUTLIER . . . . . 0 N--CA 1.493 1.704 0 O-C-N 121.496 -0.752 . . . . 0.0 110.054 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . 0.537 ' N ' ' OG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 121.065 0.46 . . . . 0.0 110.136 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 656' ' ' TRP . . . . . 0.623 ' CD2' ' CE2' ' A' ' 670' ' ' TYR . 89.5 t90 -66.7 143.34 57.02 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.048 -1.033 . . . . 0.0 109.859 179.537 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -137.13 153.27 50.54 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.132 -0.98 . . . . 0.0 110.443 -179.836 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 658' ' ' VAL . . . . . 0.41 HG13 ' C ' ' A' ' 684' ' ' LEU . 18.4 t -78.17 154.94 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.297 -0.877 . . . . 0.0 110.029 179.771 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 57.93 53.36 6.95 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.22 -0.925 . . . . 0.0 110.124 -179.785 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 660' ' ' THR . . . . . 0.514 HG22 ' CZ ' ' A' ' 662' ' ' TYR . 16.5 m -140.19 131.48 26.66 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.306 -0.871 . . . . 0.0 110.296 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -77.58 124.52 28.03 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.274 -0.891 . . . . 0.0 110.239 179.941 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 662' ' ' TYR . . . . . 0.514 ' CZ ' HG22 ' A' ' 660' ' ' THR . 9.8 m-85 -114.97 163.16 15.98 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.288 -0.882 . . . . 0.0 110.228 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 663' ' ' THR . . . . . 0.418 ' O ' ' HB3' ' A' ' 677' ' ' CYS . 0.0 OUTLIER -109.69 -172.47 2.05 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.24 -0.912 . . . . 0.0 110.027 179.905 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 664' ' ' ALA . . . . . 0.419 ' HB1' ' HA ' ' A' ' 679' ' ' GLN . . . -83.49 160.24 21.55 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.157 -0.964 . . . . 0.0 110.444 -179.667 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 50.67 28.55 16.05 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.69 -1.364 . . . . 0.0 109.69 179.888 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -84.01 176.03 9.12 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.222 -1.163 . . . . 0.0 110.038 179.893 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 667' ' ' LEU . . . . . 0.447 HD13 ' O ' ' A' ' 675' ' ' TYR . 0.2 OUTLIER -136.74 111.14 8.51 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.195 -0.94 . . . . 0.0 110.74 -179.746 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 668' ' ' VAL . . . . . 0.416 ' O ' HG21 ' A' ' 669' ' ' THR . 2.4 m -120.33 173.71 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.315 -0.866 . . . . 0.0 109.343 179.537 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 669' ' ' THR . . . . . 0.537 ' OG1' ' N ' ' A' ' 655' ' ' ALA . 2.8 p -140.31 121.09 14.41 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.811 -1.181 . . . . 0.0 110.183 179.663 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 670' ' ' TYR . . . . . 0.623 ' CE2' ' CD2' ' A' ' 656' ' ' TRP . 60.1 m-85 -91.45 -161.02 0.78 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.336 -0.852 . . . . 0.0 109.94 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . 0.416 ' CG ' ' O ' ' A' ' 671' ' ' ASN . 17.7 p-10 -47.46 92.56 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.168 -0.957 . . . . 0.0 109.906 179.74 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 672' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 670' ' ' TYR . . . 52.88 28.99 33.28 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.181 -1.568 . . . . 0.0 109.181 -179.53 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 673' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.57 152.05 34.93 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.309 -1.113 . . . . 0.0 110.464 -179.741 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 674' ' ' THR . . . . . 0.463 ' O ' ' HB2' ' A' ' 698' ' ' LEU . 26.2 m -111.99 114.0 26.63 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.338 -0.852 . . . . 0.0 109.192 179.39 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 675' ' ' TYR . . . . . 0.573 ' CE2' HD22 ' A' ' 698' ' ' LEU . 8.1 m-85 -119.65 159.72 23.89 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.151 -0.968 . . . . 0.0 111.576 -178.822 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . 0.461 ' HB3' ' O ' ' A' ' 697' ' ' GLN . 1.5 tmtt? -139.69 113.93 9.0 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.468 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 665' ' ' GLY . 0.0 OUTLIER -64.45 144.63 57.04 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.216 -0.928 . . . . 0.0 110.604 -179.447 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 2.9 tt -112.29 -17.03 12.84 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.357 -0.839 . . . . 0.0 109.932 179.889 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 679' ' ' GLN . . . . . 0.515 ' HB3' ' NE2' ' A' ' 681' ' ' HIS . 0.7 OUTLIER -145.6 149.17 39.37 Favored Pre-proline 0 N--CA 1.489 1.501 0 O-C-N 121.24 -0.912 . . . . 0.0 110.33 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 680' ' ' PRO . . . . . 0.543 ' O ' ' ND1' ' A' ' 681' ' ' HIS . 3.2 Cg_exo -60.82 114.08 2.0 Allowed 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.752 1.396 . . . . 0.0 111.162 -179.889 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 681' ' ' HIS . . . . . 0.543 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 40.8 m-70 -149.02 -160.64 1.2 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.303 -0.873 . . . . 0.0 110.15 179.343 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 682' ' ' THR . . . . . 0.462 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 17.4 m -138.01 123.74 19.88 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.188 -0.945 . . . . 0.0 110.39 -179.775 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 683' ' ' SER . . . . . 0.463 ' HB2' ' CZ2' ' A' ' 656' ' ' TRP . 83.7 p -71.05 141.83 50.89 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.269 -0.895 . . . . 0.0 110.034 179.847 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . 0.552 HD21 ' CD1' ' A' ' 687' ' ' TRP . 1.0 OUTLIER -141.12 175.63 9.48 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.317 -0.864 . . . . 0.0 110.188 179.897 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -66.86 79.92 0.11 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.191 -0.943 . . . . 0.0 110.053 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 686' ' ' GLY . . . . . 0.418 ' O ' ' HD2' ' A' ' 689' ' ' PRO . . . 162.92 -23.05 0.19 Allowed Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 -179.904 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 687' ' ' TRP . . . . . 0.552 ' CD1' HD21 ' A' ' 684' ' ' LEU . 16.8 m0 -86.67 32.83 0.65 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.146 -1.208 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 688' ' ' GLU . . . . . 0.597 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 2.2 mt-10 -88.55 -47.17 0.44 Allowed Pre-proline 0 N--CA 1.495 1.821 0 O-C-N 121.196 -0.94 . . . . 0.0 110.659 -179.795 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 689' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.7 Cg_endo -70.56 -2.96 11.59 Favored 'Trans proline' 0 C--N 1.315 -1.206 0 O-C-N 123.2 1.105 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 690' ' ' SER . . . . . 0.492 ' OG ' ' O ' ' A' ' 690' ' ' SER . 1.7 p 64.82 59.11 0.92 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.43 -0.794 . . . . 0.0 110.031 -179.622 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -79.5 5.89 11.75 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.164 -0.96 . . . . 0.0 110.419 -179.807 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 692' ' ' VAL . . . . . 0.521 ' CG2' HD11 ' A' ' 695' ' ' LEU . 17.6 m -135.91 76.76 51.97 Favored Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.149 -0.969 . . . . 0.0 110.161 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -60.47 -16.9 44.87 Favored 'Trans proline' 0 C--N 1.312 -1.382 0 O-C-N 123.631 1.332 . . . . 0.0 110.41 -179.91 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -59.36 -41.65 89.77 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.197 -0.939 . . . . 0.0 110.084 179.918 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 695' ' ' LEU . . . . . 0.592 HD12 ' CG ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -114.09 -15.31 12.28 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.268 -0.895 . . . . 0.0 110.268 -179.895 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 696' ' ' TRP . . . . . 0.592 ' CG ' HD12 ' A' ' 695' ' ' LEU . 0.1 OUTLIER -104.99 92.07 4.07 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.181 -0.95 . . . . 0.0 110.018 179.723 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 697' ' ' GLN . . . . . 0.461 ' O ' ' HB3' ' A' ' 676' ' ' LYS . 1.1 tt0 -106.7 102.35 11.73 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.137 -0.977 . . . . 0.0 109.904 179.876 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . 0.573 HD22 ' CE2' ' A' ' 675' ' ' TYR . 0.7 OUTLIER -97.22 -163.82 1.08 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.233 -0.917 . . . . 0.0 110.522 -179.618 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 699' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.373 -0.83 . . . . 0.0 110.05 -179.915 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . 0.46 ' HB2' ' OG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 121.272 0.558 . . . . 0.0 110.181 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 656' ' ' TRP . . . . . 0.578 ' CZ2' ' HB3' ' A' ' 683' ' ' SER . 91.1 t90 -71.25 137.97 49.03 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.124 -0.985 . . . . 0.0 110.253 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -130.73 149.11 52.53 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.283 -0.886 . . . . 0.0 110.146 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 658' ' ' VAL . . . . . 0.42 ' O ' ' HB2' ' A' ' 659' ' ' ASN . 4.0 p -72.79 153.35 7.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.219 -0.926 . . . . 0.0 110.158 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 659' ' ' ASN . . . . . 0.42 ' HB2' ' O ' ' A' ' 658' ' ' VAL . 1.3 m-80 59.19 47.97 10.99 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.28 -0.887 . . . . 0.0 109.949 -179.809 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 96.1 m -132.15 147.1 52.41 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.238 -0.914 . . . . 0.0 110.312 -179.856 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -96.52 127.18 42.27 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.324 -0.86 . . . . 0.0 110.215 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 662' ' ' TYR . . . . . 0.414 ' O ' ' HA ' ' A' ' 680' ' ' PRO . 15.4 m-85 -118.94 150.82 39.26 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.165 -0.96 . . . . 0.0 110.237 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 66.2 p -99.72 178.52 4.81 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.294 -0.879 . . . . 0.0 110.092 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 664' ' ' ALA . . . . . 0.456 ' HB1' ' O ' ' A' ' 678' ' ' LEU . . . -75.85 143.11 41.98 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.212 -0.93 . . . . 0.0 110.109 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 76.49 20.0 77.37 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 179.939 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -84.51 174.07 10.32 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.267 -1.137 . . . . 0.0 110.106 179.914 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -138.43 99.19 3.77 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.032 -1.043 . . . . 0.0 110.704 -179.694 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 668' ' ' VAL . . . . . 0.579 HG21 ' CH2' ' A' ' 696' ' ' TRP . 2.7 m -102.97 170.05 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.201 -0.937 . . . . 0.0 109.674 179.253 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 669' ' ' THR . . . . . 0.46 ' OG1' ' HB2' ' A' ' 655' ' ' ALA . 9.5 p -140.33 113.71 8.56 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.069 -1.019 . . . . 0.0 110.246 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 670' ' ' TYR . . . . . 0.558 ' CE2' ' CD2' ' A' ' 656' ' ' TRP . 69.8 m-85 -79.9 73.92 6.66 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.139 -0.975 . . . . 0.0 110.039 179.831 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 670' ' ' TYR . 0.1 OUTLIER 39.17 90.81 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.55 -0.719 . . . . 0.0 110.826 179.948 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . 85.24 -16.02 41.29 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.937 -1.265 . . . . 0.0 109.937 179.422 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 673' ' ' LYS . . . . . 0.507 ' CB ' ' HB2' ' A' ' 670' ' ' TYR . 0.9 OUTLIER -102.04 136.46 41.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.111 -1.229 . . . . 0.0 110.494 -179.773 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 674' ' ' THR . . . . . . . . . . . . . 11.8 m -99.76 116.06 30.96 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.428 -0.795 . . . . 0.0 109.671 179.454 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 675' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 698' ' ' LEU . 25.3 m-85 -130.33 159.21 37.65 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.075 -1.015 . . . . 0.0 110.833 -179.532 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' A' ' 697' ' ' GLN . 8.9 ptmt -140.37 138.82 35.12 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.38 -0.825 . . . . 0.0 109.978 179.929 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 665' ' ' GLY . 1.8 t -89.5 137.87 31.95 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.318 -0.864 . . . . 0.0 110.213 -179.843 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.456 ' O ' ' HB1' ' A' ' 664' ' ' ALA . 0.1 OUTLIER -107.37 -13.3 15.14 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.263 -0.898 . . . . 0.0 110.155 179.899 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 679' ' ' GLN . . . . . 0.45 ' HB2' ' CD2' ' A' ' 681' ' ' HIS . 37.3 mt-30 -142.21 141.26 20.85 Favored Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.289 -0.882 . . . . 0.0 109.872 179.794 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 680' ' ' PRO . . . . . 0.503 ' O ' ' ND1' ' A' ' 681' ' ' HIS . 3.1 Cg_exo -59.8 108.93 0.52 Allowed 'Trans proline' 0 C--N 1.313 -1.337 0 O-C-N 123.547 1.288 . . . . 0.0 110.698 179.898 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 681' ' ' HIS . . . . . 0.503 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 56.2 m-70 -146.93 -172.71 4.05 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.421 -0.8 . . . . 0.0 109.95 179.766 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 682' ' ' THR . . . . . 0.482 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 82.0 m -117.46 129.01 55.56 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.11 -0.994 . . . . 0.0 110.688 -179.762 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 683' ' ' SER . . . . . 0.578 ' HB3' ' CZ2' ' A' ' 656' ' ' TRP . 43.3 m -87.15 142.1 28.16 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.357 -0.84 . . . . 0.0 109.791 179.645 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 686' ' ' GLY . 0.7 OUTLIER -149.02 -178.7 6.52 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.204 -0.935 . . . . 0.0 110.696 -179.798 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -63.98 70.48 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.376 -0.828 . . . . 0.0 110.062 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 686' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . -177.31 -37.3 0.06 OUTLIER Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.1 -1.6 . . . . 0.0 109.1 -179.915 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 687' ' ' TRP . . . . . 0.482 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 41.5 m0 -87.24 32.98 0.68 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.292 -1.122 . . . . 0.0 110.129 179.798 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 688' ' ' GLU . . . . . 0.606 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 2.9 mt-10 -87.62 -47.19 0.48 Allowed Pre-proline 0 N--CA 1.494 1.759 0 O-C-N 121.259 -0.901 . . . . 0.0 110.613 -179.886 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 689' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.5 Cg_endo -69.94 -4.27 13.81 Favored 'Trans proline' 0 C--N 1.315 -1.219 0 O-C-N 123.229 1.12 . . . . 0.0 109.961 179.616 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 690' ' ' SER . . . . . 0.457 ' OG ' ' O ' ' A' ' 689' ' ' PRO . 3.5 p 60.26 47.85 8.72 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.385 -0.822 . . . . 0.0 110.005 -179.477 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 691' ' ' ASN . . . . . 0.442 ' OD1' HG13 ' A' ' 692' ' ' VAL . 7.3 p30 -79.31 1.54 24.66 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.215 -0.928 . . . . 0.0 109.951 179.924 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 692' ' ' VAL . . . . . 0.452 HG22 ' O ' ' A' ' 692' ' ' VAL . 20.3 m -123.3 71.43 45.71 Favored Pre-proline 0 N--CA 1.49 1.546 0 O-C-N 121.362 -0.836 . . . . 0.0 109.752 179.741 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -57.72 -13.83 15.58 Favored 'Trans proline' 0 C--N 1.311 -1.396 0 O-C-N 123.75 1.395 . . . . 0.0 110.857 -179.622 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -54.34 -34.13 60.43 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.158 -0.964 . . . . 0.0 109.962 179.792 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 695' ' ' LEU . . . . . 0.592 HD13 ' CG ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -129.64 -7.48 4.6 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.197 -0.94 . . . . 0.0 110.532 -179.933 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 696' ' ' TRP . . . . . 0.592 ' CG ' HD13 ' A' ' 695' ' ' LEU . 1.7 m95 -111.28 95.4 5.5 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.105 -0.997 . . . . 0.0 110.362 179.718 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 697' ' ' GLN . . . . . 0.477 ' O ' ' HG2' ' A' ' 676' ' ' LYS . 0.1 OUTLIER -101.98 111.47 23.76 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.24 -0.912 . . . . 0.0 109.882 179.731 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . 0.562 ' HB3' ' CE2' ' A' ' 675' ' ' TYR . 0.9 OUTLIER -88.07 -175.77 5.19 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.023 -1.048 . . . . 0.0 110.69 -179.515 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 699' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.45 -0.781 . . . . 0.0 110.271 -179.977 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . 0.477 ' HA ' ' OG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.223 0.535 . . . . 0.0 110.364 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 656' ' ' TRP . . . . . 0.612 ' CD2' ' CE2' ' A' ' 670' ' ' TYR . 61.1 t90 -69.25 143.39 53.93 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.193 -0.942 . . . . 0.0 110.351 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -134.14 145.87 49.69 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.261 -0.899 . . . . 0.0 110.025 179.916 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 658' ' ' VAL . . . . . 0.557 HG23 ' CH2' ' A' ' 656' ' ' TRP . 10.9 t -77.51 145.91 9.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.178 -0.951 . . . . 0.0 110.364 -179.916 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 659' ' ' ASN . . . . . 0.419 ' CB ' ' O ' ' A' ' 658' ' ' VAL . 0.7 OUTLIER 64.18 59.03 1.09 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.163 -0.96 . . . . 0.0 110.189 -179.979 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 5.3 m -139.17 164.86 28.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.191 -0.943 . . . . 0.0 110.45 -179.902 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -108.2 120.51 42.56 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.325 -0.859 . . . . 0.0 110.144 -179.953 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -117.86 147.51 43.01 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.206 -0.934 . . . . 0.0 110.091 179.919 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 663' ' ' THR . . . . . 0.476 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 59.3 p -99.68 171.43 7.91 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.231 -0.918 . . . . 0.0 109.942 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 664' ' ' ALA . . . . . 0.452 ' HB3' ' HD3' ' A' ' 680' ' ' PRO . . . -65.95 138.32 57.75 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.171 -0.956 . . . . 0.0 109.944 179.893 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 81.16 27.4 49.31 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.275 -1.53 . . . . 0.0 109.275 -179.618 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . 0.453 ' HB3' ' HB2' ' A' ' 677' ' ' CYS . 5.3 tp-100 -87.17 173.02 9.48 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.29 -1.123 . . . . 0.0 110.082 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 667' ' ' LEU . . . . . 0.423 HD13 ' O ' ' A' ' 675' ' ' TYR . 0.2 OUTLIER -137.39 102.12 4.7 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.22 -0.925 . . . . 0.0 110.794 -179.872 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 668' ' ' VAL . . . . . 0.566 HG22 ' CH2' ' A' ' 696' ' ' TRP . 2.5 m -110.31 166.77 5.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.19 -0.944 . . . . 0.0 109.558 179.444 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 669' ' ' THR . . . . . 0.477 ' OG1' ' HA ' ' A' ' 655' ' ' ALA . 0.9 OUTLIER -140.82 116.01 9.92 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.959 -1.088 . . . . 0.0 110.435 179.73 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 670' ' ' TYR . . . . . 0.612 ' CE2' ' CD2' ' A' ' 656' ' ' TRP . 71.8 m-85 -85.05 -162.83 0.74 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.293 -0.879 . . . . 0.0 109.976 179.782 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -46.73 94.74 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.208 -0.932 . . . . 0.0 109.823 179.709 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 672' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 670' ' ' TYR . . . 51.67 33.23 33.87 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.062 -1.615 . . . . 0.0 109.062 -179.578 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 673' ' ' LYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 669' ' ' THR . 0.1 OUTLIER -121.69 144.16 48.94 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.423 -1.046 . . . . 0.0 110.405 -179.733 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 674' ' ' THR . . . . . . . . . . . . . 33.1 m -106.31 121.02 43.37 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.425 -0.797 . . . . 0.0 109.457 179.401 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 675' ' ' TYR . . . . . 0.585 ' CE2' ' HB3' ' A' ' 698' ' ' LEU . 22.0 m-85 -131.38 158.98 39.32 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.1 -1.0 . . . . 0.0 111.015 -179.248 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -140.17 138.27 35.05 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.551 -0.718 . . . . 0.0 109.458 179.291 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . 0.521 ' O ' ' N ' ' A' ' 665' ' ' GLY . 0.1 OUTLIER -90.35 140.11 30.02 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.211 -0.931 . . . . 0.0 110.239 -179.883 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.422 ' O ' ' HB1' ' A' ' 664' ' ' ALA . 0.3 OUTLIER -105.97 -9.48 17.06 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.34 -0.85 . . . . 0.0 109.988 179.881 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 679' ' ' GLN . . . . . 0.556 ' HB2' ' CD2' ' A' ' 681' ' ' HIS . 35.9 mt-30 -144.74 144.03 23.18 Favored Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 121.294 -0.879 . . . . 0.0 110.3 179.872 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 680' ' ' PRO . . . . . 0.476 ' HA ' ' HA ' ' A' ' 663' ' ' THR . 3.2 Cg_exo -58.51 94.66 0.07 OUTLIER 'Trans proline' 0 C--N 1.312 -1.344 0 O-C-N 123.57 1.3 . . . . 0.0 110.417 179.568 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 681' ' ' HIS . . . . . 0.556 ' CD2' ' HB2' ' A' ' 679' ' ' GLN . 22.3 m-70 -133.03 163.57 28.93 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.357 -0.839 . . . . 0.0 110.116 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 9.6 m -102.33 126.8 49.46 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.275 -0.89 . . . . 0.0 110.516 -179.824 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 60.4 p -75.31 145.31 41.9 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.379 -0.825 . . . . 0.0 110.04 179.71 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . 0.474 HD23 ' O ' ' A' ' 684' ' ' LEU . 0.7 OUTLIER -141.7 -179.2 6.04 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.12 -0.988 . . . . 0.0 110.647 -179.964 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -69.01 76.15 0.32 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.378 -0.826 . . . . 0.0 109.835 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 686' ' ' GLY . . . . . . . . . . . . . . . 170.27 -25.1 0.1 OUTLIER Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.839 -1.305 . . . . 0.0 109.839 -179.869 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 687' ' ' TRP . . . . . 0.473 ' CD1' HD22 ' A' ' 684' ' ' LEU . 32.3 m0 -86.92 36.46 0.72 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.009 -1.289 . . . . 0.0 110.21 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 688' ' ' GLU . . . . . 0.588 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 2.0 mt-10 -89.54 -48.3 0.4 Allowed Pre-proline 0 N--CA 1.496 1.859 0 O-C-N 121.25 -0.906 . . . . 0.0 110.693 -179.836 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 689' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.6 Cg_endo -70.28 -4.07 13.64 Favored 'Trans proline' 0 C--N 1.315 -1.2 0 O-C-N 123.253 1.133 . . . . 0.0 110.138 179.87 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 690' ' ' SER . . . . . 0.456 ' OG ' ' O ' ' A' ' 689' ' ' PRO . 3.5 p 59.01 52.38 6.38 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.326 -0.859 . . . . 0.0 109.796 -179.281 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -79.7 9.22 5.34 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.265 -0.897 . . . . 0.0 110.529 -179.716 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 692' ' ' VAL . . . . . 0.458 HG21 ' HB2' ' A' ' 696' ' ' TRP . 9.9 m -131.76 78.71 69.84 Favored Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.263 -0.898 . . . . 0.0 109.887 179.657 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.16 -18.04 55.96 Favored 'Trans proline' 0 C--N 1.313 -1.337 0 O-C-N 123.768 1.404 . . . . 0.0 110.879 -179.771 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -57.82 -33.66 68.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.19 -0.944 . . . . 0.0 110.166 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 695' ' ' LEU . . . . . 0.587 HD12 ' CG ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -129.76 -10.67 4.42 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.247 -0.908 . . . . 0.0 110.751 -179.645 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 696' ' ' TRP . . . . . 0.587 ' CG ' HD12 ' A' ' 695' ' ' LEU . 0.5 OUTLIER -115.51 96.7 5.76 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.246 -0.909 . . . . 0.0 110.51 -179.759 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -101.48 164.03 11.97 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.371 -0.831 . . . . 0.0 109.515 179.37 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . 0.585 ' HB3' ' CE2' ' A' ' 675' ' ' TYR . 0.8 OUTLIER -154.73 -176.09 5.74 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.924 -1.11 . . . . 0.0 110.58 -179.94 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 699' ' ' GLN . . . . . 0.401 ' N ' HD11 ' A' ' 698' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.612 0 O-C-N 121.296 -0.877 . . . . 0.0 110.207 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . 0.525 ' N ' ' OG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.076 0.465 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 656' ' ' TRP . . . . . 0.704 ' CD2' ' CE2' ' A' ' 670' ' ' TYR . 80.8 t90 -66.22 125.94 27.16 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.199 -0.938 . . . . 0.0 110.107 179.667 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -117.37 122.91 45.15 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.247 -0.908 . . . . 0.0 110.377 -179.833 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 658' ' ' VAL . . . . . 0.556 HG12 ' CZ3' ' A' ' 656' ' ' TRP . 5.4 m -55.48 143.66 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.154 -0.966 . . . . 0.0 110.061 179.822 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 659' ' ' ASN . . . . . 0.516 ' CB ' ' O ' ' A' ' 658' ' ' VAL . 1.2 t30 70.28 51.93 0.37 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.308 -0.87 . . . . 0.0 109.762 -179.748 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 86.7 m -138.93 137.71 36.69 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.324 -0.86 . . . . 0.0 110.301 -179.846 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -81.26 133.12 35.39 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.251 -0.906 . . . . 0.0 109.914 179.796 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 662' ' ' TYR . . . . . 0.456 ' CD2' ' HB3' ' A' ' 683' ' ' SER . 24.3 m-85 -120.33 150.53 40.59 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.17 -0.956 . . . . 0.0 110.413 -179.843 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 663' ' ' THR . . . . . 0.443 ' O ' ' HB2' ' A' ' 666' ' ' GLN . 0.1 OUTLIER -103.05 164.43 11.62 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.309 -0.869 . . . . 0.0 109.801 179.744 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 664' ' ' ALA . . . . . 0.454 ' HB2' ' HA ' ' A' ' 679' ' ' GLN . . . -64.68 124.02 20.84 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.173 -0.955 . . . . 0.0 110.433 -179.813 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 92.48 26.05 19.1 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 179.893 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . 0.513 ' CB ' ' HB3' ' A' ' 677' ' ' CYS . 0.5 OUTLIER -90.72 176.34 6.69 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.218 -1.166 . . . . 0.0 110.206 179.952 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 667' ' ' LEU . . . . . 0.516 HD23 ' N ' ' A' ' 668' ' ' VAL . 0.7 OUTLIER -134.27 132.77 40.03 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.167 -0.958 . . . . 0.0 110.475 -179.863 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 668' ' ' VAL . . . . . 0.516 ' N ' HD23 ' A' ' 667' ' ' LEU . 3.0 m -137.37 158.96 35.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.329 -0.857 . . . . 0.0 109.791 179.77 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 669' ' ' THR . . . . . 0.525 ' OG1' ' N ' ' A' ' 655' ' ' ALA . 11.5 p -140.47 124.93 17.83 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.076 -1.015 . . . . 0.0 110.343 179.918 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 670' ' ' TYR . . . . . 0.704 ' CE2' ' CD2' ' A' ' 656' ' ' TRP . 85.5 m-85 -87.98 -173.41 4.25 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.188 -0.945 . . . . 0.0 110.661 -179.697 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . 0.475 ' C ' ' O ' ' A' ' 670' ' ' TYR . 57.8 m-80 -32.69 -44.77 0.11 Allowed 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.813 -0.554 . . . . 0.0 111.229 -179.333 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . -154.82 41.99 0.6 Allowed Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.095 -1.602 . . . . 0.0 109.095 179.847 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 673' ' ' LYS . . . . . . . . . . . . . 36.9 mttt -140.1 167.44 22.11 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.327 -1.102 . . . . 0.0 110.458 -179.598 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 674' ' ' THR . . . . . 0.439 ' O ' HD13 ' A' ' 698' ' ' LEU . 41.1 m -139.75 125.4 19.34 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.325 -0.859 . . . . 0.0 110.012 179.93 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 675' ' ' TYR . . . . . 0.581 ' CD1' ' CE1' ' A' ' 670' ' ' TYR . 94.9 m-85 -125.04 177.19 6.2 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.088 -1.007 . . . . 0.0 110.687 -179.697 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 697' ' ' GLN . 4.6 mptt -140.16 104.73 4.89 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.335 -0.853 . . . . 0.0 110.278 -179.917 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . 0.513 ' HB3' ' CB ' ' A' ' 666' ' ' GLN . 37.9 t -55.34 139.72 41.98 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.165 -0.959 . . . . 0.0 109.938 179.804 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 1.1 tt -117.59 -19.59 9.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.306 -0.871 . . . . 0.0 110.42 -179.668 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 679' ' ' GLN . . . . . 0.454 ' HA ' ' HB2' ' A' ' 664' ' ' ALA . 1.9 mm100 -135.0 144.85 52.05 Favored Pre-proline 0 N--CA 1.489 1.496 0 O-C-N 121.182 -0.948 . . . . 0.0 110.35 -179.897 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 680' ' ' PRO . . . . . 0.514 ' O ' ' ND1' ' A' ' 681' ' ' HIS . 3.0 Cg_exo -59.78 103.89 0.21 Allowed 'Trans proline' 0 C--N 1.312 -1.355 0 O-C-N 123.573 1.302 . . . . 0.0 110.462 179.861 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 681' ' ' HIS . . . . . 0.514 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 26.4 m-70 -147.64 170.22 17.99 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.253 -0.904 . . . . 0.0 110.12 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 682' ' ' THR . . . . . 0.434 ' O ' ' CD1' ' A' ' 684' ' ' LEU . 3.0 m -105.96 128.33 53.74 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.252 -0.905 . . . . 0.0 110.301 -179.723 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 683' ' ' SER . . . . . 0.456 ' HB3' ' CD2' ' A' ' 662' ' ' TYR . 0.0 OUTLIER -89.77 142.86 27.29 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.272 -0.892 . . . . 0.0 109.854 179.603 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . 0.627 ' N ' ' CD1' ' A' ' 684' ' ' LEU . 0.0 OUTLIER -153.03 -166.88 2.57 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.195 -0.941 . . . . 0.0 110.773 -179.923 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -62.24 82.53 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.39 -0.819 . . . . 0.0 109.945 179.901 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 686' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 164.81 -38.78 0.29 Allowed Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 -179.84 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 15.7 m0 -87.2 34.44 0.69 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.268 -1.137 . . . . 0.0 110.207 179.867 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 688' ' ' GLU . . . . . 0.574 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 0.8 OUTLIER -90.16 -48.86 0.37 Allowed Pre-proline 0 N--CA 1.494 1.765 0 O-C-N 121.178 -0.951 . . . . 0.0 110.814 -179.629 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 689' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.7 Cg_endo -69.25 -5.09 15.04 Favored 'Trans proline' 0 C--N 1.314 -1.282 0 O-C-N 123.127 1.067 . . . . 0.0 110.257 -179.712 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 690' ' ' SER . . . . . 0.477 ' OG ' ' O ' ' A' ' 690' ' ' SER . 1.5 p 62.45 50.21 3.77 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.362 -0.836 . . . . 0.0 109.714 -179.567 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -85.19 19.39 2.24 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.309 -0.869 . . . . 0.0 110.895 -179.426 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 692' ' ' VAL . . . . . 0.527 ' CG2' HD11 ' A' ' 695' ' ' LEU . 11.0 m -137.37 78.6 38.4 Favored Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.122 -0.986 . . . . 0.0 109.925 179.657 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -60.58 -14.19 29.65 Favored 'Trans proline' 0 C--N 1.312 -1.366 0 O-C-N 123.792 1.417 . . . . 0.0 110.854 -179.635 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -63.41 -39.08 93.54 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.083 -1.011 . . . . 0.0 110.104 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 695' ' ' LEU . . . . . 0.567 ' CD1' ' N ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -116.33 -14.01 11.03 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.251 -0.906 . . . . 0.0 110.129 179.905 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 696' ' ' TRP . . . . . 0.567 ' N ' ' CD1' ' A' ' 695' ' ' LEU . 0.1 OUTLIER -104.98 112.56 25.74 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.237 -0.914 . . . . 0.0 110.275 179.802 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 697' ' ' GLN . . . . . 0.472 ' O ' ' HB2' ' A' ' 676' ' ' LYS . 19.8 tp60 -99.71 86.61 3.35 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.219 -0.926 . . . . 0.0 109.851 179.695 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . 0.535 ' HB2' ' CD2' ' A' ' 675' ' ' TYR . 22.4 tp -66.95 157.84 32.33 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.214 -0.929 . . . . 0.0 110.576 -179.611 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 699' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.381 -0.824 . . . . 0.0 110.233 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . 0.454 ' HA ' ' OG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.265 0.555 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 656' ' ' TRP . . . . . 0.667 ' CD2' ' CE2' ' A' ' 670' ' ' TYR . 91.9 t90 -87.28 147.76 25.39 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.211 -0.93 . . . . 0.0 110.202 179.854 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 657' ' ' GLN . . . . . 0.43 ' HG3' ' C ' ' A' ' 656' ' ' TRP . 37.9 mt-30 -146.53 155.8 42.78 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.31 -0.869 . . . . 0.0 110.114 179.896 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 658' ' ' VAL . . . . . 0.421 ' O ' ' CB ' ' A' ' 659' ' ' ASN . 33.2 m -77.78 152.96 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.173 -0.954 . . . . 0.0 110.113 179.961 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 659' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 658' ' ' VAL . 0.9 OUTLIER 64.47 51.37 2.02 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.168 -0.957 . . . . 0.0 109.956 -179.825 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 16.0 m -134.45 128.11 32.84 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.259 -0.9 . . . . 0.0 110.333 -179.874 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -84.18 110.68 18.71 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.31 -0.869 . . . . 0.0 109.975 179.814 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 662' ' ' TYR . . . . . 0.412 ' O ' ' HA ' ' A' ' 680' ' ' PRO . 18.2 m-85 -99.97 152.67 19.92 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.208 -0.932 . . . . 0.0 110.517 -179.762 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 663' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 21.1 p -106.71 173.45 6.32 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.366 -0.834 . . . . 0.0 109.755 179.532 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 664' ' ' ALA . . . . . . . . . . . . . . . -68.64 130.52 43.07 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.117 -0.989 . . . . 0.0 110.241 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 86.63 28.08 27.81 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.73 -1.348 . . . . 0.0 109.73 179.748 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . 0.439 ' HB2' ' HB3' ' A' ' 677' ' ' CYS . 1.3 tm0? -89.97 -174.17 4.14 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.17 -1.194 . . . . 0.0 109.978 179.845 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 667' ' ' LEU . . . . . 0.459 ' C ' ' CD2' ' A' ' 667' ' ' LEU . 5.0 tt -152.43 130.7 12.02 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.135 -0.978 . . . . 0.0 110.526 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 668' ' ' VAL . . . . . 0.457 HG22 ' HB2' ' A' ' 675' ' ' TYR . 2.6 m -137.13 171.17 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.313 -0.867 . . . . 0.0 109.827 179.733 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 669' ' ' THR . . . . . 0.484 ' HA ' ' O ' ' A' ' 673' ' ' LYS . 40.3 p -140.32 119.2 12.56 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.147 -0.97 . . . . 0.0 110.454 179.727 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 670' ' ' TYR . . . . . 0.667 ' CE2' ' CD2' ' A' ' 656' ' ' TRP . 83.9 m-85 -89.58 94.51 9.89 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.238 -0.914 . . . . 0.0 110.205 179.838 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . 0.453 ' CB ' ' O ' ' A' ' 670' ' ' TYR . 0.5 OUTLIER 65.46 -71.59 0.08 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.242 -0.911 . . . . 0.0 110.419 179.998 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 672' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 670' ' ' TYR . . . -141.53 17.19 2.66 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.679 -1.369 . . . . 0.0 109.679 -179.882 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 673' ' ' LYS . . . . . 0.484 ' O ' ' HA ' ' A' ' 669' ' ' THR . 4.1 mmtp -109.12 149.85 28.71 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.21 -1.171 . . . . 0.0 110.241 -179.942 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 674' ' ' THR . . . . . 0.445 ' O ' ' HB2' ' A' ' 698' ' ' LEU . 98.3 m -105.78 131.83 52.64 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.355 -0.841 . . . . 0.0 110.05 179.934 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 675' ' ' TYR . . . . . 0.599 ' CE2' ' HB3' ' A' ' 698' ' ' LEU . 33.0 m-85 -136.28 158.53 44.2 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.263 -0.898 . . . . 0.0 110.606 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 667' ' ' LEU . 0.0 OUTLIER -136.93 131.39 32.97 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.438 -0.789 . . . . 0.0 110.015 179.703 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . 0.512 ' O ' ' N ' ' A' ' 665' ' ' GLY . 0.5 OUTLIER -79.41 142.64 35.77 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.286 -0.883 . . . . 0.0 110.029 179.965 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.411 ' HB3' ' HA ' ' A' ' 695' ' ' LEU . 3.9 tp -115.07 -16.79 11.57 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.183 -0.948 . . . . 0.0 110.41 -179.897 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 679' ' ' GLN . . . . . 0.475 ' HB3' ' NE2' ' A' ' 681' ' ' HIS . 3.0 mm-40 -141.38 142.73 27.6 Favored Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.178 -0.951 . . . . 0.0 110.354 -179.884 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 680' ' ' PRO . . . . . 0.519 ' O ' ' ND1' ' A' ' 681' ' ' HIS . 3.2 Cg_exo -59.89 110.7 0.79 Allowed 'Trans proline' 0 C--N 1.313 -1.307 0 O-C-N 123.638 1.336 . . . . 0.0 110.916 179.746 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 681' ' ' HIS . . . . . 0.519 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 43.9 m-70 -150.62 -174.89 4.9 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.244 -0.91 . . . . 0.0 110.091 179.737 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 682' ' ' THR . . . . . 0.566 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 12.1 m -118.04 121.37 40.44 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.237 -0.914 . . . . 0.0 110.582 -179.668 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 683' ' ' SER . . . . . 0.55 ' HA ' ' CE3' ' A' ' 687' ' ' TRP . 3.4 m -83.56 147.36 27.81 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.34 -0.85 . . . . 0.0 110.059 179.756 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . 0.522 ' CD2' ' N ' ' A' ' 684' ' ' LEU . 0.5 OUTLIER -154.96 -171.68 3.92 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.206 -0.934 . . . . 0.0 110.534 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -64.12 70.79 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.372 -0.83 . . . . 0.0 110.095 179.894 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 686' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . -176.09 -36.82 0.05 OUTLIER Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.131 -1.588 . . . . 0.0 109.131 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 687' ' ' TRP . . . . . 0.566 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 47.7 m0 -89.19 38.75 0.91 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.337 -1.096 . . . . 0.0 110.1 179.86 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 688' ' ' GLU . . . . . 0.581 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.7 mt-10 -89.52 -48.76 0.4 Allowed Pre-proline 0 N--CA 1.494 1.738 0 O-C-N 121.266 -0.896 . . . . 0.0 110.563 -179.768 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 689' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.5 Cg_endo -70.65 -6.35 18.84 Favored 'Trans proline' 0 C--N 1.314 -1.287 0 O-C-N 123.187 1.098 . . . . 0.0 109.843 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 690' ' ' SER . . . . . 0.479 ' CB ' ' CE2' ' A' ' 675' ' ' TYR . 1.9 p 61.58 51.5 4.01 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.393 -0.817 . . . . 0.0 109.615 -179.469 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 691' ' ' ASN . . . . . 0.401 ' OD1' HG12 ' A' ' 692' ' ' VAL . 12.3 p30 -82.64 14.82 2.9 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.285 -0.884 . . . . 0.0 110.664 -179.642 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 692' ' ' VAL . . . . . 0.523 HG22 ' CD1' ' A' ' 695' ' ' LEU . 30.6 m -136.62 80.31 38.41 Favored Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.1 -1.0 . . . . 0.0 110.135 179.762 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.86 -13.79 32.88 Favored 'Trans proline' 0 C--N 1.312 -1.36 0 O-C-N 123.734 1.387 . . . . 0.0 110.512 -179.929 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -54.65 -33.47 60.72 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.24 -0.913 . . . . 0.0 110.363 -179.896 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 695' ' ' LEU . . . . . 0.523 ' CD1' HG22 ' A' ' 692' ' ' VAL . 1.2 pp -130.97 -4.14 3.99 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.29 -0.882 . . . . 0.0 110.437 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 696' ' ' TRP . . . . . 0.478 ' N ' HD12 ' A' ' 695' ' ' LEU . 1.1 m95 -113.84 97.94 6.71 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.15 -0.969 . . . . 0.0 110.619 -179.639 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -101.08 108.6 20.34 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.15 -0.969 . . . . 0.0 109.773 179.476 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . 0.599 ' HB3' ' CE2' ' A' ' 675' ' ' TYR . 0.5 OUTLIER -102.3 -179.15 3.9 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.195 -0.941 . . . . 0.0 110.829 -179.459 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 699' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 . . . . . 0 N--CA 1.492 1.674 0 O-C-N 121.451 -0.781 . . . . 0.0 110.32 179.961 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . 0.483 ' HB1' ' O ' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.255 0.55 . . . . 0.0 110.278 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 656' ' ' TRP . . . . . 0.685 ' CD2' ' CE2' ' A' ' 670' ' ' TYR . 84.4 t90 -61.19 152.08 29.73 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.177 -0.952 . . . . 0.0 110.028 179.896 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -141.15 150.17 42.45 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.178 -0.951 . . . . 0.0 110.358 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 658' ' ' VAL . . . . . 0.571 HG11 ' CZ3' ' A' ' 656' ' ' TRP . 11.6 m -86.68 158.86 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.344 -0.847 . . . . 0.0 110.101 179.908 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 659' ' ' ASN . . . . . 0.453 ' CB ' ' O ' ' A' ' 658' ' ' VAL . 52.3 t30 67.12 45.21 1.76 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.24 -0.913 . . . . 0.0 109.926 -179.853 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 2.9 m -140.38 164.26 30.58 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.256 -0.903 . . . . 0.0 110.491 -179.608 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . 0.468 ' HA ' ' HA ' ' A' ' 682' ' ' THR . . . -115.89 115.42 26.19 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.281 -0.887 . . . . 0.0 110.008 179.77 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 662' ' ' TYR . . . . . 0.407 ' O ' ' HA ' ' A' ' 680' ' ' PRO . 23.9 m-85 -101.07 155.08 18.19 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.128 -0.983 . . . . 0.0 110.344 -179.834 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 34.8 p -101.01 160.73 14.13 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.316 -0.865 . . . . 0.0 110.181 -179.906 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 664' ' ' ALA . . . . . 0.441 ' CB ' ' HD3' ' A' ' 680' ' ' PRO . . . -55.1 125.18 19.42 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.276 -0.89 . . . . 0.0 110.238 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 89.5 33.47 9.28 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.717 -1.353 . . . . 0.0 109.717 179.835 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . 0.481 ' CB ' ' HB2' ' A' ' 677' ' ' CYS . 0.0 OUTLIER -89.57 168.59 12.04 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.21 -1.17 . . . . 0.0 110.307 179.988 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 667' ' ' LEU . . . . . 0.46 ' CD1' ' C ' ' A' ' 667' ' ' LEU . 0.9 OUTLIER -128.05 105.08 8.14 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.248 -0.908 . . . . 0.0 110.161 -179.947 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 668' ' ' VAL . . . . . 0.472 ' HB ' ' HB2' ' A' ' 656' ' ' TRP . 2.6 m -115.33 166.24 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.183 -0.948 . . . . 0.0 110.005 179.897 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 669' ' ' THR . . . . . 0.483 ' O ' ' HB1' ' A' ' 655' ' ' ALA . 1.0 OUTLIER -140.6 121.35 14.38 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.131 -0.981 . . . . 0.0 109.984 179.539 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 670' ' ' TYR . . . . . 0.685 ' CE2' ' CD2' ' A' ' 656' ' ' TRP . 76.3 m-85 -90.96 77.89 6.07 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.054 -1.029 . . . . 0.0 110.466 -179.736 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 670' ' ' TYR . 2.3 m-20 41.31 84.46 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.382 -0.824 . . . . 0.0 110.456 179.701 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . 93.34 -24.04 27.13 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 179.753 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 673' ' ' LYS . . . . . 0.476 ' O ' ' HA ' ' A' ' 669' ' ' THR . 10.9 tptt -100.72 159.13 15.44 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.099 -1.236 . . . . 0.0 110.402 -179.708 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 674' ' ' THR . . . . . 0.423 ' HA ' ' HA ' ' A' ' 669' ' ' THR . 40.2 m -140.09 115.22 9.76 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.429 -0.794 . . . . 0.0 110.032 179.788 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 675' ' ' TYR . . . . . 0.563 ' CZ ' HD13 ' A' ' 698' ' ' LEU . 39.2 m-85 -110.44 169.71 8.56 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.205 -0.934 . . . . 0.0 110.587 -179.878 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . 0.516 ' HB2' ' O ' ' A' ' 697' ' ' GLN . 0.1 OUTLIER -129.98 93.34 3.48 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.432 -0.793 . . . . 0.0 110.027 -179.941 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . 0.481 ' HB2' ' CB ' ' A' ' 666' ' ' GLN . 0.1 OUTLIER -48.29 144.85 3.65 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.244 -0.91 . . . . 0.0 110.388 -179.792 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.35 -2.41 6.88 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.258 -0.901 . . . . 0.0 110.657 -179.713 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -145.73 139.97 15.28 Favored Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.113 -0.992 . . . . 0.0 110.494 -179.816 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 680' ' ' PRO . . . . . 0.468 ' O ' ' ND1' ' A' ' 681' ' ' HIS . 2.7 Cg_endo -64.87 93.54 0.21 Allowed 'Trans proline' 0 C--N 1.315 -1.211 0 O-C-N 123.509 1.268 . . . . 0.0 110.375 179.715 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 681' ' ' HIS . . . . . 0.468 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 2.3 m-70 -136.79 -176.26 4.3 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.213 -0.93 . . . . 0.0 110.101 -179.931 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 682' ' ' THR . . . . . 0.468 ' HA ' ' HA ' ' A' ' 661' ' ' ALA . 40.4 m -116.37 126.06 52.95 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.321 -0.862 . . . . 0.0 110.25 179.939 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 683' ' ' SER . . . . . 0.46 ' HA ' ' CE3' ' A' ' 687' ' ' TRP . 2.5 m -89.62 146.26 24.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.289 -0.882 . . . . 0.0 110.049 179.819 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . 0.524 ' O ' ' N ' ' A' ' 686' ' ' GLY . 0.5 OUTLIER -145.21 -171.16 3.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.324 -0.86 . . . . 0.0 110.346 -179.839 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -65.08 67.05 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.35 -0.844 . . . . 0.0 110.116 179.87 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 686' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . -174.92 -33.46 0.04 OUTLIER Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 -179.889 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 687' ' ' TRP . . . . . 0.46 ' CE3' ' HA ' ' A' ' 683' ' ' SER . 43.9 m0 -86.93 34.14 0.67 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.122 -1.222 . . . . 0.0 110.398 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 688' ' ' GLU . . . . . 0.609 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.2 mt-10 -87.22 -47.11 0.5 Allowed Pre-proline 0 N--CA 1.494 1.756 0 O-C-N 121.202 -0.936 . . . . 0.0 110.593 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 689' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.7 Cg_endo -69.08 -5.53 16.01 Favored 'Trans proline' 0 C--N 1.314 -1.26 0 O-C-N 123.235 1.123 . . . . 0.0 110.145 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 690' ' ' SER . . . . . 0.474 ' OG ' ' O ' ' A' ' 690' ' ' SER . 1.5 p 64.55 51.66 1.92 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.381 -0.825 . . . . 0.0 109.655 -179.502 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 691' ' ' ASN . . . . . 0.447 ' OD1' HG13 ' A' ' 692' ' ' VAL . 16.6 p30 -79.88 6.44 11.13 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.236 -0.915 . . . . 0.0 110.717 -179.542 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 692' ' ' VAL . . . . . 0.447 HG13 ' OD1' ' A' ' 691' ' ' ASN . 16.7 m -132.03 76.91 72.66 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.144 -0.973 . . . . 0.0 110.076 179.639 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -60.36 -24.48 77.74 Favored 'Trans proline' 0 C--N 1.311 -1.404 0 O-C-N 123.738 1.388 . . . . 0.0 110.529 -179.905 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -47.7 -30.44 3.82 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.174 -0.954 . . . . 0.0 109.743 179.746 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 695' ' ' LEU . . . . . 0.514 ' C ' ' CD1' ' A' ' 695' ' ' LEU . 3.4 pp -127.04 -5.5 6.17 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.35 -0.844 . . . . 0.0 110.013 179.557 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 696' ' ' TRP . . . . . 0.522 ' HA ' ' CE3' ' A' ' 696' ' ' TRP . 0.5 OUTLIER -106.97 105.41 15.43 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.143 -0.973 . . . . 0.0 110.002 179.842 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 697' ' ' GLN . . . . . 0.516 ' O ' ' HB2' ' A' ' 676' ' ' LYS . 3.9 tt0 -99.34 82.69 2.72 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.107 -0.996 . . . . 0.0 109.657 179.731 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . 0.563 HD13 ' CZ ' ' A' ' 675' ' ' TYR . 40.8 tp -63.1 158.39 19.82 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.039 -1.038 . . . . 0.0 110.54 -179.484 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 699' ' ' GLN . . . . . 0.442 ' OE1' ' NZ ' ' A' ' 676' ' ' LYS . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.291 -0.88 . . . . 0.0 110.214 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . 0.533 ' N ' ' OG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 121.249 0.547 . . . . 0.0 110.131 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 656' ' ' TRP . . . . . 0.647 ' CD1' ' CZ ' ' A' ' 670' ' ' TYR . 52.0 t90 -63.34 144.19 57.17 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.275 -0.891 . . . . 0.0 110.095 179.834 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -139.1 128.43 24.18 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.309 -0.87 . . . . 0.0 110.363 -179.88 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 658' ' ' VAL . . . . . 0.624 ' CG1' ' CH2' ' A' ' 656' ' ' TRP . 6.6 m -61.97 158.27 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.306 -0.871 . . . . 0.0 110.232 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 53.66 52.82 12.46 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.268 -0.895 . . . . 0.0 109.726 -179.747 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 22.1 m -136.57 155.21 50.24 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.353 -0.842 . . . . 0.0 110.453 -179.68 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -103.63 114.63 29.05 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.233 -0.917 . . . . 0.0 110.109 179.893 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -105.85 155.83 18.94 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.299 -0.876 . . . . 0.0 110.04 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 12.7 p -99.8 177.58 5.08 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.18 -0.95 . . . . 0.0 110.102 179.929 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 664' ' ' ALA . . . . . 0.476 ' HB2' ' HA ' ' A' ' 679' ' ' GLN . . . -73.75 129.68 38.43 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.343 -0.848 . . . . 0.0 110.246 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 79.57 32.93 36.12 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.714 -1.354 . . . . 0.0 109.714 179.696 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -89.98 160.71 16.24 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.309 -1.112 . . . . 0.0 110.146 179.769 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 667' ' ' LEU . . . . . 0.493 ' CD1' ' C ' ' A' ' 667' ' ' LEU . 3.4 tm? -114.11 112.16 22.76 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.164 -0.96 . . . . 0.0 110.229 -179.962 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 668' ' ' VAL . . . . . . . . . . . . . 2.3 m -125.65 166.08 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.228 -0.92 . . . . 0.0 109.843 179.69 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 669' ' ' THR . . . . . 0.533 ' OG1' ' N ' ' A' ' 655' ' ' ALA . 2.6 p -139.91 123.94 17.66 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.191 -0.943 . . . . 0.0 110.166 179.863 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 670' ' ' TYR . . . . . 0.647 ' CZ ' ' CD1' ' A' ' 656' ' ' TRP . 14.5 m-85 -88.54 80.52 7.34 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.179 -0.951 . . . . 0.0 110.009 179.924 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 44.22 81.53 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.304 -0.873 . . . . 0.0 110.952 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . 84.14 -10.19 61.54 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 110.329 -1.109 . . . . 0.0 110.329 179.264 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 673' ' ' LYS . . . . . 0.51 ' HB2' ' HB2' ' A' ' 670' ' ' TYR . 5.5 mmtt -99.66 146.04 26.93 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.096 -1.238 . . . . 0.0 110.215 -179.832 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 674' ' ' THR . . . . . 0.442 ' HB ' ' HG3' ' A' ' 699' ' ' GLN . 0.4 OUTLIER -108.54 128.81 55.14 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.33 -0.856 . . . . 0.0 109.991 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 675' ' ' TYR . . . . . 0.592 ' CE1' ' HB3' ' A' ' 698' ' ' LEU . 21.0 m-85 -138.8 154.83 48.51 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.219 -0.926 . . . . 0.0 110.871 -179.815 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . 0.432 ' HG3' HD22 ' A' ' 667' ' ' LEU . 0.0 OUTLIER -131.26 101.04 5.39 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.462 -0.773 . . . . 0.0 110.318 -179.655 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 665' ' ' GLY . 5.8 t -57.23 148.09 23.41 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.257 -0.902 . . . . 0.0 110.126 179.714 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.19 -21.21 7.07 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.223 -0.923 . . . . 0.0 110.671 -179.738 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 679' ' ' GLN . . . . . 0.476 ' HA ' ' HB2' ' A' ' 664' ' ' ALA . 14.7 mm100 -133.38 147.07 63.42 Favored Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.133 -0.979 . . . . 0.0 110.637 -179.687 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 680' ' ' PRO . . . . . 0.432 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 2.7 Cg_endo -62.98 100.37 0.24 Allowed 'Trans proline' 0 C--N 1.314 -1.271 0 O-C-N 123.643 1.339 . . . . 0.0 110.531 179.894 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 681' ' ' HIS . . . . . 0.454 ' CD2' ' HB2' ' A' ' 679' ' ' GLN . 48.3 m-70 -142.36 -177.14 5.12 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.164 -0.96 . . . . 0.0 110.309 179.872 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 682' ' ' THR . . . . . 0.431 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 31.7 m -114.67 123.18 48.65 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.334 -0.854 . . . . 0.0 110.185 -179.927 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 683' ' ' SER . . . . . 0.41 ' HA ' ' CE3' ' A' ' 687' ' ' TRP . 0.1 OUTLIER -77.44 147.62 35.86 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.327 -0.858 . . . . 0.0 109.779 179.729 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . 0.564 ' CD2' ' N ' ' A' ' 684' ' ' LEU . 0.7 OUTLIER -155.41 -176.21 5.83 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.34 -0.85 . . . . 0.0 110.601 -179.923 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -64.92 64.67 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.559 -0.713 . . . . 0.0 110.211 -179.811 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 686' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . -169.49 -36.4 0.02 OUTLIER Glycine 0 N--CA 1.489 2.183 0 N-CA-C 109.135 -1.586 . . . . 0.0 109.135 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 687' ' ' TRP . . . . . 0.431 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 44.8 m0 -87.68 37.1 0.78 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.291 -1.123 . . . . 0.0 110.059 179.742 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 688' ' ' GLU . . . . . 0.591 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.5 mt-10 -88.42 -48.22 0.44 Allowed Pre-proline 0 N--CA 1.497 1.89 0 O-C-N 121.276 -0.89 . . . . 0.0 110.459 -179.851 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 689' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.5 Cg_endo -70.22 -4.56 14.59 Favored 'Trans proline' 0 C--N 1.314 -1.272 0 O-C-N 123.271 1.143 . . . . 0.0 109.861 179.832 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 690' ' ' SER . . . . . 0.513 ' CB ' ' CE1' ' A' ' 675' ' ' TYR . 4.8 p 56.9 45.73 20.9 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.313 -0.867 . . . . 0.0 109.462 -179.209 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 21.3 p30 -79.56 4.19 16.58 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.437 -0.79 . . . . 0.0 110.187 -179.787 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 692' ' ' VAL . . . . . 0.405 ' O ' HD12 ' A' ' 695' ' ' LEU . 1.2 m -119.84 78.7 23.43 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.344 -0.848 . . . . 0.0 110.037 179.689 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -60.93 -16.08 42.76 Favored 'Trans proline' 0 C--N 1.311 -1.434 0 O-C-N 123.78 1.411 . . . . 0.0 110.43 -179.912 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -56.77 -32.75 65.93 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.282 -0.886 . . . . 0.0 110.223 -179.906 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 695' ' ' LEU . . . . . 0.632 ' CD1' ' CD1' ' A' ' 696' ' ' TRP . 1.2 pp -133.58 -2.43 3.03 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.253 -0.905 . . . . 0.0 110.731 -179.789 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 696' ' ' TRP . . . . . 0.632 ' CD1' ' CD1' ' A' ' 695' ' ' LEU . 2.3 m95 -120.65 95.55 4.77 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.982 -1.073 . . . . 0.0 110.443 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 39.6 tp60 -99.9 105.14 16.83 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.264 -0.898 . . . . 0.0 109.777 179.637 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 698' ' ' LEU . . . . . 0.592 ' HB3' ' CE1' ' A' ' 675' ' ' TYR . 0.4 OUTLIER -82.68 171.45 14.0 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.176 -0.953 . . . . 0.0 110.679 -179.398 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 699' ' ' GLN . . . . . 0.442 ' HG3' ' HB ' ' A' ' 674' ' ' THR . 2.9 pt20 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.424 -0.797 . . . . 0.0 110.18 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 656' ' ' TRP . . . . . 1.153 ' CH2' HG22 ' A' ' 658' ' ' VAL . 30.2 t90 . . . . . 0 N--CA 1.493 1.719 0 CA-C-O 121.222 0.534 . . . . 0.0 109.958 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -119.94 122.66 41.71 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.206 -0.934 . . . . 0.0 110.447 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 658' ' ' VAL . . . . . 1.153 HG22 ' CH2' ' A' ' 656' ' ' TRP . 2.9 t -73.23 145.51 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.265 -0.897 . . . . 0.0 109.884 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 659' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 658' ' ' VAL . 3.0 m-80 60.56 53.31 4.17 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.22 -0.925 . . . . 0.0 110.059 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 660' ' ' THR . . . . . 0.495 ' O ' HG23 ' A' ' 682' ' ' THR . 8.0 m -136.34 173.5 11.63 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.165 -0.96 . . . . 0.0 110.388 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 661' ' ' ALA . . . . . 0.446 ' H ' HG22 ' A' ' 660' ' ' THR . . . -110.84 112.96 25.18 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.247 -0.908 . . . . 0.0 109.975 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -108.31 153.07 23.77 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.192 -0.943 . . . . 0.0 110.414 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 663' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 664' ' ' ALA . 60.4 p -112.97 148.34 35.26 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.323 -0.861 . . . . 0.0 109.912 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 664' ' ' ALA . . . . . 1.007 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -43.24 147.75 0.34 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.296 -0.877 . . . . 0.0 110.102 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 76.94 20.52 75.89 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 666' ' ' GLN . . . . . 0.518 ' HB2' ' HB3' ' A' ' 677' ' ' CYS . 0.9 OUTLIER -88.41 172.6 9.26 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.238 -1.154 . . . . 0.0 110.101 179.888 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 667' ' ' LEU . . . . . 0.463 ' HG ' ' HG3' ' A' ' 676' ' ' LYS . 1.2 tt -137.65 111.47 8.25 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.308 -0.87 . . . . 0.0 110.437 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 668' ' ' VAL . . . . . 0.569 HG21 ' CH2' ' A' ' 696' ' ' TRP . 2.3 m -116.36 161.45 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.206 -0.934 . . . . 0.0 109.9 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 4.0 p . . . . . 0 N--CA 1.492 1.659 0 O-C-N 121.143 -0.973 . . . . 0.0 110.279 179.729 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 674' ' ' THR . . . . . . . . . . . . . 7.2 m . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.19 0.519 . . . . 0.0 110.062 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 675' ' ' TYR . . . . . 0.62 ' CE1' ' HB3' ' A' ' 698' ' ' LEU . 18.0 m-85 -142.18 147.51 36.72 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.22 -0.925 . . . . 0.0 110.52 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 676' ' ' LYS . . . . . 0.463 ' HG3' ' HG ' ' A' ' 667' ' ' LEU . 0.0 OUTLIER -130.15 107.57 9.4 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.37 -0.831 . . . . 0.0 110.343 -179.804 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 677' ' ' CYS . . . . . 0.522 ' O ' HD12 ' A' ' 678' ' ' LEU . 0.1 OUTLIER -61.31 136.02 57.91 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.224 -0.922 . . . . 0.0 110.144 179.847 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.522 HD12 ' O ' ' A' ' 677' ' ' CYS . 1.9 mp -120.48 -3.66 9.88 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.147 -0.971 . . . . 0.0 110.466 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 679' ' ' GLN . . . . . 0.462 ' HB2' ' CB ' ' A' ' 695' ' ' LEU . 0.0 OUTLIER -135.87 131.27 18.95 Favored Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 121.109 -0.994 . . . . 0.0 110.201 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 680' ' ' PRO . . . . . 1.007 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.1 Cg_exo -62.16 109.04 0.75 Allowed 'Trans proline' 0 C--N 1.315 -1.225 0 O-C-N 123.508 1.267 . . . . 0.0 110.842 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 681' ' ' HIS . . . . . 0.536 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 8.4 m-70 -155.62 -168.98 2.97 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.417 -0.802 . . . . 0.0 110.108 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 682' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 660' ' ' THR . 24.9 m -117.83 125.29 50.27 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.145 -0.972 . . . . 0.0 110.527 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.79 136.86 47.25 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.226 -0.921 . . . . 0.0 109.771 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 684' ' ' LEU . . . . . 0.732 ' H ' HD23 ' A' ' 684' ' ' LEU . 1.6 pt? -132.47 167.48 19.88 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.174 -0.954 . . . . 0.0 110.779 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -63.4 71.6 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.475 -0.765 . . . . 0.0 110.316 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 686' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 178.02 -31.94 0.07 OUTLIER Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 18.3 m0 -88.55 36.27 0.79 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.282 -1.128 . . . . 0.0 109.808 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 688' ' ' GLU . . . . . 0.624 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 2.1 mt-10 -86.91 -46.2 0.52 Allowed Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 121.355 -0.84 . . . . 0.0 110.808 -179.503 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 689' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.5 Cg_endo -68.09 -5.78 15.58 Favored 'Trans proline' 0 C--N 1.314 -1.244 0 O-C-N 123.206 1.109 . . . . 0.0 110.22 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 690' ' ' SER . . . . . 0.497 ' CB ' ' CE1' ' A' ' 675' ' ' TYR . 1.3 p 66.78 51.98 0.99 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.331 -0.855 . . . . 0.0 109.691 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 691' ' ' ASN . . . . . 0.759 ' OD1' HG13 ' A' ' 692' ' ' VAL . 13.3 p30 -79.62 9.39 5.06 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.213 -0.929 . . . . 0.0 110.586 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 692' ' ' VAL . . . . . 0.759 HG13 ' OD1' ' A' ' 691' ' ' ASN . 15.8 m -134.23 80.05 53.97 Favored Pre-proline 0 N--CA 1.492 1.633 0 O-C-N 121.168 -0.957 . . . . 0.0 109.905 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -59.54 -23.4 70.78 Favored 'Trans proline' 0 C--N 1.311 -1.412 0 O-C-N 123.675 1.355 . . . . 0.0 110.244 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -44.57 -27.06 0.43 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.296 -0.878 . . . . 0.0 109.685 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 695' ' ' LEU . . . . . 0.687 ' C ' HD12 ' A' ' 695' ' ' LEU . 4.3 pp -137.5 -3.29 1.91 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.299 -0.876 . . . . 0.0 110.791 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 696' ' ' TRP . . . . . 0.569 ' CH2' HG21 ' A' ' 668' ' ' VAL . 0.7 OUTLIER -102.54 104.44 14.85 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.041 -1.037 . . . . 0.0 110.546 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 697' ' ' GLN . . . . . 0.477 ' HB2' HD22 ' A' ' 678' ' ' LEU . 7.0 tp60 -99.74 85.25 3.06 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.277 -0.889 . . . . 0.0 109.696 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 698' ' ' LEU . . . . . 0.867 HD12 ' N ' ' A' ' 699' ' ' GLN . 0.5 OUTLIER -87.36 167.31 14.15 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.207 -0.933 . . . . 0.0 110.807 -179.397 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 699' ' ' GLN . . . . . 0.867 ' N ' HD12 ' A' ' 698' ' ' LEU . 2.0 pt20 . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.39 -0.819 . . . . 0.0 110.069 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 656' ' ' TRP . . . . . 0.43 ' HB2' ' HB ' ' A' ' 668' ' ' VAL . 54.0 t90 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.2 0.524 . . . . 0.0 110.365 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -114.83 140.8 48.64 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.19 -0.944 . . . . 0.0 110.169 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 658' ' ' VAL . . . . . 0.453 ' H ' HG12 ' A' ' 658' ' ' VAL . 5.9 p -73.16 160.07 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.349 -0.844 . . . . 0.0 110.861 -179.598 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 57.29 57.09 4.66 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.299 -0.875 . . . . 0.0 110.544 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 660' ' ' THR . . . . . 0.647 HG22 ' HB2' ' A' ' 683' ' ' SER . 3.4 t -140.27 169.66 17.26 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.176 -0.953 . . . . 0.0 110.221 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -117.1 111.41 19.47 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.196 -0.94 . . . . 0.0 109.957 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 662' ' ' TYR . . . . . 0.548 ' CZ ' HG21 ' A' ' 660' ' ' THR . 11.4 m-85 -100.36 158.52 15.83 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.185 -0.947 . . . . 0.0 110.365 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 34.0 p -108.41 163.68 13.0 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.332 -0.855 . . . . 0.0 109.925 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 664' ' ' ALA . . . . . 0.951 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -60.61 119.33 7.88 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.279 -0.888 . . . . 0.0 110.281 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 665' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 97.38 28.31 8.61 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 666' ' ' GLN . . . . . 0.534 ' CB ' ' HB2' ' A' ' 677' ' ' CYS . 0.8 OUTLIER -86.48 177.37 7.43 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.262 -1.14 . . . . 0.0 110.069 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 1.9 tt -140.5 101.09 4.03 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.215 -0.928 . . . . 0.0 110.541 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 668' ' ' VAL . . . . . 0.43 ' HB ' ' HB2' ' A' ' 656' ' ' TRP . 4.2 m -115.57 169.5 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.321 -0.862 . . . . 0.0 109.626 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 41.0 p . . . . . 0 N--CA 1.493 1.685 0 O-C-N 120.994 -1.067 . . . . 0.0 110.553 179.904 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 674' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 698' ' ' LEU . 4.2 m . . . . . 0 N--CA 1.492 1.649 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 675' ' ' TYR . . . . . 0.617 ' CE2' ' HB3' ' A' ' 698' ' ' LEU . 16.8 m-85 -133.67 158.76 42.43 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.172 -0.955 . . . . 0.0 110.923 -179.295 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 676' ' ' LYS . . . . . 0.472 ' HG2' ' O ' ' A' ' 697' ' ' GLN . 0.9 OUTLIER -140.3 135.32 32.12 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.4 -0.812 . . . . 0.0 109.823 179.545 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 677' ' ' CYS . . . . . 0.534 ' HB2' ' CB ' ' A' ' 666' ' ' GLN . 0.0 OUTLIER -81.27 144.77 31.31 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.155 -0.965 . . . . 0.0 110.061 -179.877 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.9 -15.8 11.2 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.302 -0.873 . . . . 0.0 110.489 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -138.65 142.48 34.4 Favored Pre-proline 0 N--CA 1.492 1.633 0 O-C-N 121.166 -0.959 . . . . 0.0 110.391 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 680' ' ' PRO . . . . . 0.951 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.2 Cg_exo -61.92 105.0 0.35 Allowed 'Trans proline' 0 C--N 1.313 -1.302 0 O-C-N 123.617 1.325 . . . . 0.0 110.842 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 681' ' ' HIS . . . . . 0.521 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 14.5 m-70 -147.27 -161.26 1.29 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.299 -0.876 . . . . 0.0 110.029 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 682' ' ' THR . . . . . 0.52 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 21.5 m -130.65 135.23 47.64 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.098 -1.001 . . . . 0.0 110.673 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 683' ' ' SER . . . . . 0.647 ' HB2' HG22 ' A' ' 660' ' ' THR . 59.1 m -90.37 149.49 22.26 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.275 -0.891 . . . . 0.0 110.108 179.64 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 684' ' ' LEU . . . . . 0.635 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.7 OUTLIER -151.42 -177.75 6.26 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.344 -0.847 . . . . 0.0 110.233 179.824 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -64.29 74.75 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.238 -0.914 . . . . 0.0 110.011 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 686' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 175.04 -32.06 0.09 OUTLIER Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.626 -1.39 . . . . 0.0 109.626 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 687' ' ' TRP . . . . . 0.52 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 38.9 m0 -86.38 33.38 0.63 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.172 -1.193 . . . . 0.0 110.216 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 688' ' ' GLU . . . . . 0.588 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 0.7 OUTLIER -90.17 -48.44 0.38 Allowed Pre-proline 0 N--CA 1.496 1.841 0 O-C-N 121.222 -0.924 . . . . 0.0 110.759 -179.666 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 689' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.7 Cg_endo -70.54 -0.99 8.41 Favored 'Trans proline' 0 C--N 1.315 -1.205 0 O-C-N 123.258 1.136 . . . . 0.0 110.801 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 690' ' ' SER . . . . . 0.473 ' OG ' ' O ' ' A' ' 689' ' ' PRO . 4.0 p 60.89 56.77 2.78 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.287 -0.883 . . . . 0.0 109.917 -179.493 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 691' ' ' ASN . . . . . 0.427 ' C ' ' HD3' ' A' ' 693' ' ' PRO . 8.3 m-80 -79.44 -16.42 56.16 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.337 -0.852 . . . . 0.0 110.195 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 692' ' ' VAL . . . . . 0.788 HG23 ' O ' ' A' ' 692' ' ' VAL . 18.6 m -116.87 78.48 9.33 Favored Pre-proline 0 N--CA 1.489 1.52 0 O-C-N 121.168 -0.957 . . . . 0.0 110.217 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 693' ' ' PRO . . . . . 0.427 ' HD3' ' C ' ' A' ' 691' ' ' ASN . 3.0 Cg_exo -60.14 -14.88 30.96 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 O-C-N 123.664 1.349 . . . . 0.0 110.433 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -50.35 -32.37 17.13 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.216 -0.928 . . . . 0.0 110.063 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 695' ' ' LEU . . . . . 1.004 HD12 ' N ' ' A' ' 696' ' ' TRP . 1.0 OUTLIER -128.44 -12.25 5.02 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.206 -0.934 . . . . 0.0 110.557 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 696' ' ' TRP . . . . . 1.004 ' N ' HD12 ' A' ' 695' ' ' LEU . 2.8 m95 -105.29 97.03 6.93 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.171 -0.956 . . . . 0.0 110.37 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 697' ' ' GLN . . . . . 0.472 ' O ' ' HG2' ' A' ' 676' ' ' LYS . 0.4 OUTLIER -105.1 118.79 37.43 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.228 -0.92 . . . . 0.0 109.883 179.647 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 698' ' ' LEU . . . . . 1.009 HD12 ' N ' ' A' ' 699' ' ' GLN . 2.4 pp -102.29 -173.96 2.46 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.964 -1.085 . . . . 0.0 110.76 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 699' ' ' GLN . . . . . 1.009 ' N ' HD12 ' A' ' 698' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 O-C-N 121.522 -0.736 . . . . 0.0 110.227 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 656' ' ' TRP . . . . . . . . . . . . . 76.2 t90 . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.265 0.555 . . . . 0.0 110.168 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 24.3 mm100 -104.04 114.0 27.94 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.315 -0.866 . . . . 0.0 110.094 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 658' ' ' VAL . . . . . 0.453 HG22 ' OD1' ' A' ' 659' ' ' ASN . 7.1 p -56.55 155.83 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.192 -0.943 . . . . 0.0 110.119 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 659' ' ' ASN . . . . . 0.453 ' OD1' HG22 ' A' ' 658' ' ' VAL . 3.1 m120 50.96 59.29 4.73 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.314 -0.866 . . . . 0.0 110.136 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 660' ' ' THR . . . . . 0.401 HG22 ' N ' ' A' ' 661' ' ' ALA . 24.8 m -140.92 161.08 38.67 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.274 -0.891 . . . . 0.0 110.53 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 661' ' ' ALA . . . . . 0.401 ' N ' HG22 ' A' ' 660' ' ' THR . . . -104.33 126.57 51.54 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.25 -0.906 . . . . 0.0 109.906 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -120.89 148.58 43.86 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.192 -0.943 . . . . 0.0 110.453 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 56.1 p -100.78 162.04 13.19 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.35 -0.844 . . . . 0.0 109.996 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 664' ' ' ALA . . . . . 0.854 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -58.63 108.06 0.59 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.216 -0.927 . . . . 0.0 110.302 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 665' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 114.89 25.82 3.78 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 666' ' ' GLN . . . . . 0.567 ' CB ' ' HB2' ' A' ' 677' ' ' CYS . 1.4 mm-40 -90.5 -179.26 5.53 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.133 -1.216 . . . . 0.0 110.043 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.91 127.1 22.65 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.276 -0.89 . . . . 0.0 110.67 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 668' ' ' VAL . . . . . 0.496 ' CG2' ' HB2' ' A' ' 675' ' ' TYR . 2.5 m -137.01 156.91 35.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.234 -0.916 . . . . 0.0 109.976 179.514 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 53.3 p . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.123 -0.986 . . . . 0.0 110.318 179.959 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 674' ' ' THR . . . . . 0.476 ' HB ' ' HG3' ' A' ' 699' ' ' GLN . 87.7 m . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.162 0.506 . . . . 0.0 110.022 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 675' ' ' TYR . . . . . 0.623 ' CE1' ' CB ' ' A' ' 690' ' ' SER . 49.1 m-85 -132.96 158.62 42.21 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.334 -0.854 . . . . 0.0 110.815 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 676' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 697' ' ' GLN . 0.4 OUTLIER -134.62 99.51 4.36 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.419 -0.8 . . . . 0.0 109.96 179.73 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 677' ' ' CYS . . . . . 0.567 ' HB2' ' CB ' ' A' ' 666' ' ' GLN . 0.5 OUTLIER -50.98 134.75 25.73 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.286 -0.884 . . . . 0.0 109.88 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.05 1.08 9.76 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.087 -1.008 . . . . 0.0 110.953 -179.402 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 679' ' ' GLN . . . . . 0.476 ' HA ' ' HB2' ' A' ' 664' ' ' ALA . 5.5 mt-30 -150.82 148.0 22.21 Favored Pre-proline 0 N--CA 1.493 1.712 0 O-C-N 120.921 -1.112 . . . . 0.0 110.754 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 680' ' ' PRO . . . . . 0.854 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.0 Cg_exo -61.61 99.54 0.18 Allowed 'Trans proline' 0 C--N 1.315 -1.231 0 O-C-N 123.684 1.36 . . . . 0.0 110.462 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 681' ' ' HIS . . . . . 0.464 ' CD2' HD22 ' A' ' 695' ' ' LEU . 34.4 m-70 -147.04 165.35 30.16 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.244 -0.91 . . . . 0.0 110.328 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 682' ' ' THR . . . . . 0.447 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 42.9 m -104.6 135.97 45.01 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.306 -0.871 . . . . 0.0 110.494 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 12.0 p -89.94 145.86 24.81 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.271 -0.893 . . . . 0.0 109.849 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 684' ' ' LEU . . . . . 0.659 ' H ' HD23 ' A' ' 684' ' ' LEU . 1.2 pt? -158.39 179.56 9.03 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.239 -0.913 . . . . 0.0 110.382 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -60.42 78.66 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.41 -0.806 . . . . 0.0 109.99 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 686' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 171.65 -42.97 0.18 Allowed Glycine 0 N--CA 1.489 2.183 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 687' ' ' TRP . . . . . 0.447 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 46.2 m0 -89.46 37.72 0.88 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.24 -1.153 . . . . 0.0 109.951 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 688' ' ' GLU . . . . . 0.605 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.3 mt-10 -88.24 -47.84 0.45 Allowed Pre-proline 0 N--CA 1.496 1.866 0 O-C-N 121.287 -0.883 . . . . 0.0 110.511 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 689' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.7 Cg_endo -69.26 -4.23 13.27 Favored 'Trans proline' 0 C--N 1.315 -1.203 0 O-C-N 123.244 1.129 . . . . 0.0 110.191 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 690' ' ' SER . . . . . 0.623 ' CB ' ' CE1' ' A' ' 675' ' ' TYR . 1.7 p 62.89 57.7 1.65 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.397 -0.814 . . . . 0.0 109.717 -179.579 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -79.18 -4.41 50.37 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.319 -0.863 . . . . 0.0 110.668 -179.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 692' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 692' ' ' VAL . 17.8 m -120.78 88.0 43.27 Favored Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.052 -1.03 . . . . 0.0 110.469 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.5 -25.21 79.33 Favored 'Trans proline' 0 C--N 1.31 -1.459 0 O-C-N 123.521 1.274 . . . . 0.0 110.399 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -46.33 -30.63 2.16 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.294 -0.879 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 695' ' ' LEU . . . . . 0.584 ' C ' HD12 ' A' ' 695' ' ' LEU . 4.2 pp -130.34 -4.09 4.34 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.206 -0.934 . . . . 0.0 110.541 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 696' ' ' TRP . . . . . 0.501 ' HA ' ' CE3' ' A' ' 696' ' ' TRP . 1.2 m95 -108.64 99.84 9.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.108 -0.995 . . . . 0.0 110.687 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 697' ' ' GLN . . . . . 0.483 ' O ' ' HB2' ' A' ' 676' ' ' LYS . 6.0 tt0 -99.62 93.18 5.71 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.241 -0.912 . . . . 0.0 109.132 179.116 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 698' ' ' LEU . . . . . 0.832 HD12 ' N ' ' A' ' 699' ' ' GLN . 0.5 OUTLIER -96.0 -176.24 3.64 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.282 -0.886 . . . . 0.0 111.03 -178.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 699' ' ' GLN . . . . . 0.832 ' N ' HD12 ' A' ' 698' ' ' LEU . 2.0 pt20 . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.522 -0.736 . . . . 0.0 110.265 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 656' ' ' TRP . . . . . 0.46 ' HB2' ' HB ' ' A' ' 668' ' ' VAL . 36.8 t90 . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.308 0.575 . . . . 0.0 110.146 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -136.72 144.55 43.92 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.195 -0.941 . . . . 0.0 110.111 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 658' ' ' VAL . . . . . 0.435 HG12 ' H ' ' A' ' 658' ' ' VAL . 7.4 p -80.03 155.85 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.143 -0.973 . . . . 0.0 110.259 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 57.49 54.17 6.76 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.278 -0.889 . . . . 0.0 110.196 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 660' ' ' THR . . . . . 0.532 HG22 ' N ' ' A' ' 661' ' ' ALA . 58.7 m -140.22 167.54 21.91 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.101 -1.0 . . . . 0.0 110.886 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 661' ' ' ALA . . . . . 0.532 ' N ' HG22 ' A' ' 660' ' ' THR . . . -113.98 124.74 52.89 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.436 -0.79 . . . . 0.0 109.777 179.719 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 662' ' ' TYR . . . . . 0.494 ' O ' ' HA ' ' A' ' 680' ' ' PRO . 7.8 m-85 -113.42 151.98 30.66 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.141 -0.974 . . . . 0.0 110.631 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 6.1 p -100.19 154.27 18.58 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.301 -0.874 . . . . 0.0 109.72 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 664' ' ' ALA . . . . . 0.878 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -48.8 135.44 15.19 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.272 -0.893 . . . . 0.0 110.287 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 665' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 77.47 36.0 35.33 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 666' ' ' GLN . . . . . 0.525 ' HB2' ' CB ' ' A' ' 677' ' ' CYS . 0.0 OUTLIER -89.83 169.56 11.15 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.179 -1.189 . . . . 0.0 110.14 179.864 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 667' ' ' LEU . . . . . 0.748 HD13 ' C ' ' A' ' 667' ' ' LEU . 3.3 tm? -129.17 117.26 20.48 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.192 -0.942 . . . . 0.0 110.519 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 668' ' ' VAL . . . . . 0.49 ' N ' HD13 ' A' ' 667' ' ' LEU . 2.0 m -133.66 155.18 39.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.202 -0.936 . . . . 0.0 109.93 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 40.1 p . . . . . 0 N--CA 1.492 1.662 0 O-C-N 121.095 -1.003 . . . . 0.0 110.418 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 674' ' ' THR . . . . . . . . . . . . . 80.0 m . . . . . 0 N--CA 1.493 1.682 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 675' ' ' TYR . . . . . 0.614 ' CE1' ' CB ' ' A' ' 698' ' ' LEU . 93.1 m-85 -130.32 167.55 18.33 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.177 -0.952 . . . . 0.0 111.13 -179.428 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 676' ' ' LYS . . . . . 0.507 ' HD2' HD23 ' A' ' 667' ' ' LEU . 0.0 OUTLIER -139.52 102.47 4.47 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.653 -0.654 . . . . 0.0 109.986 -179.697 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 677' ' ' CYS . . . . . 0.525 ' CB ' ' HB2' ' A' ' 666' ' ' GLN . 0.1 OUTLIER -52.6 142.41 18.21 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.14 -0.975 . . . . 0.0 110.246 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.421 ' O ' ' HB1' ' A' ' 664' ' ' ALA . 0.3 OUTLIER -110.76 -29.0 8.17 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.387 -0.821 . . . . 0.0 110.148 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 679' ' ' GLN . . . . . 0.544 ' HB3' ' NE2' ' A' ' 681' ' ' HIS . 20.3 mt-30 -133.0 148.62 70.14 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.222 -0.924 . . . . 0.0 110.019 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 680' ' ' PRO . . . . . 0.878 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.0 Cg_exo -59.77 102.31 0.17 Allowed 'Trans proline' 0 C--N 1.311 -1.413 0 O-C-N 123.59 1.31 . . . . 0.0 110.336 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 681' ' ' HIS . . . . . 0.544 ' NE2' ' HB3' ' A' ' 679' ' ' GLN . 22.0 m-70 -136.95 -167.04 2.01 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.16 -0.962 . . . . 0.0 110.485 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 682' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 660' ' ' THR . 96.8 m -126.37 128.4 47.0 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.318 -0.864 . . . . 0.0 110.412 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.9 140.81 33.87 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.34 -0.85 . . . . 0.0 109.864 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 684' ' ' LEU . . . . . 0.707 ' H ' HD23 ' A' ' 684' ' ' LEU . 1.2 pt? -148.97 177.84 9.21 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.205 -0.934 . . . . 0.0 110.686 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -62.45 73.99 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.436 -0.79 . . . . 0.0 110.162 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 686' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 177.67 -39.59 0.09 OUTLIER Glycine 0 N--CA 1.489 2.173 0 N-CA-C 109.169 -1.572 . . . . 0.0 109.169 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 687' ' ' TRP . . . . . 0.401 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 48.0 m0 -89.6 38.82 0.92 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.344 -1.092 . . . . 0.0 109.796 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 688' ' ' GLU . . . . . 0.59 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.6 mt-10 -89.56 -48.98 0.39 Allowed Pre-proline 0 N--CA 1.494 1.762 0 O-C-N 121.237 -0.915 . . . . 0.0 110.516 -179.679 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 689' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.7 Cg_endo -69.71 -5.74 16.9 Favored 'Trans proline' 0 C--N 1.312 -1.348 0 O-C-N 123.299 1.157 . . . . 0.0 109.99 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 690' ' ' SER . . . . . 0.563 ' CB ' ' CE1' ' A' ' 675' ' ' TYR . 1.7 p 61.11 49.5 5.58 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.319 -0.863 . . . . 0.0 109.818 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 691' ' ' ASN . . . . . 0.741 ' OD1' HG13 ' A' ' 692' ' ' VAL . 13.5 p30 -83.48 15.56 3.01 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.361 -0.837 . . . . 0.0 110.439 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 692' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 692' ' ' VAL . 19.7 m -137.28 81.58 31.12 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.287 -0.883 . . . . 0.0 110.06 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 693' ' ' PRO . . . . . 0.454 ' HA ' ' O ' ' A' ' 696' ' ' TRP . 3.1 Cg_exo -59.54 -18.99 49.99 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.674 1.355 . . . . 0.0 110.498 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 694' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 693' ' ' PRO . . . -44.53 -35.07 2.34 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.283 -0.886 . . . . 0.0 109.843 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 695' ' ' LEU . . . . . 0.751 ' C ' HD12 ' A' ' 695' ' ' LEU . 3.1 pp -134.52 -3.24 2.67 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.374 -0.829 . . . . 0.0 110.552 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 696' ' ' TRP . . . . . 0.746 ' N ' HD12 ' A' ' 695' ' ' LEU . 1.7 m95 -116.42 105.71 12.81 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.035 -1.041 . . . . 0.0 110.345 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -103.18 105.95 16.36 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.205 -0.934 . . . . 0.0 109.648 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 698' ' ' LEU . . . . . 0.994 HD12 ' N ' ' A' ' 699' ' ' GLN . 0.4 OUTLIER -94.05 175.95 6.51 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.08 -1.012 . . . . 0.0 111.049 -179.203 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 699' ' ' GLN . . . . . 0.994 ' N ' HD12 ' A' ' 698' ' ' LEU . 15.1 pt20 . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.468 -0.77 . . . . 0.0 110.216 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 656' ' ' TRP . . . . . 0.453 ' CH2' ' HB ' ' A' ' 658' ' ' VAL . 88.2 t90 . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.345 0.593 . . . . 0.0 110.251 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 657' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 656' ' ' TRP . 29.3 mt-30 -149.92 115.62 5.57 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.269 -0.894 . . . . 0.0 109.851 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 658' ' ' VAL . . . . . 0.453 ' HB ' ' CH2' ' A' ' 656' ' ' TRP . 12.1 p -48.04 155.79 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.315 -0.865 . . . . 0.0 110.561 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 51.41 59.61 4.46 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.49 -0.756 . . . . 0.0 110.453 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 660' ' ' THR . . . . . 0.639 ' CG2' ' CE1' ' A' ' 662' ' ' TYR . 84.3 m -140.35 138.37 34.81 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.159 -0.963 . . . . 0.0 110.227 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -87.36 128.07 35.2 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.243 -0.911 . . . . 0.0 110.095 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 662' ' ' TYR . . . . . 0.639 ' CE1' ' CG2' ' A' ' 660' ' ' THR . 20.5 m-85 -119.64 150.82 39.7 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.221 -0.924 . . . . 0.0 110.454 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 21.7 p -103.61 149.03 25.3 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.354 -0.841 . . . . 0.0 109.788 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 664' ' ' ALA . . . . . 1.01 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -49.84 127.45 16.22 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.133 -0.979 . . . . 0.0 110.284 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 99.37 18.14 24.69 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.72 -1.352 . . . . 0.0 109.72 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.34 -179.03 5.76 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.251 -1.146 . . . . 0.0 110.026 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 667' ' ' LEU . . . . . 0.638 HD23 ' C ' ' A' ' 667' ' ' LEU . 4.4 tt -151.1 116.32 5.33 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.188 -0.945 . . . . 0.0 110.242 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 668' ' ' VAL . . . . . 0.573 ' N ' HD23 ' A' ' 667' ' ' LEU . 4.4 m -116.68 163.97 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.245 -0.909 . . . . 0.0 110.1 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 62.6 p . . . . . 0 N--CA 1.491 1.614 0 O-C-N 121.173 -0.954 . . . . 0.0 110.318 179.901 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 674' ' ' THR . . . . . 0.486 ' O ' ' HA ' ' A' ' 698' ' ' LEU . 7.2 m . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 121.086 0.47 . . . . 0.0 110.028 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 675' ' ' TYR . . . . . 0.615 ' CE1' ' HB3' ' A' ' 698' ' ' LEU . 67.5 m-85 -136.99 158.55 44.2 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.373 -0.829 . . . . 0.0 110.54 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 676' ' ' LYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 697' ' ' GLN . 0.1 OUTLIER -133.86 105.27 6.68 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.511 -0.743 . . . . 0.0 110.099 -179.853 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 677' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 695' ' ' LEU . 0.1 OUTLIER -60.38 132.97 55.57 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.218 -0.926 . . . . 0.0 110.192 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.69 3.1 14.65 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.21 -0.931 . . . . 0.0 110.371 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 679' ' ' GLN . . . . . 0.548 ' HB3' ' CD2' ' A' ' 681' ' ' HIS . 9.4 mt-30 -148.35 138.82 13.12 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.128 -0.983 . . . . 0.0 110.434 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 680' ' ' PRO . . . . . 1.01 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 2.9 Cg_endo -62.32 99.36 0.2 Allowed 'Trans proline' 0 C--N 1.314 -1.26 0 O-C-N 123.498 1.262 . . . . 0.0 110.445 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 681' ' ' HIS . . . . . 0.548 ' CD2' ' HB3' ' A' ' 679' ' ' GLN . 29.8 m-70 -142.73 -179.66 6.46 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.162 -0.961 . . . . 0.0 110.212 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 78.4 m -115.24 129.39 56.62 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.246 -0.909 . . . . 0.0 110.307 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.25 146.86 28.33 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.223 -0.923 . . . . 0.0 110.199 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 684' ' ' LEU . . . . . 0.723 ' H ' HD23 ' A' ' 684' ' ' LEU . 1.2 pt? -154.81 -178.59 7.32 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.412 -0.805 . . . . 0.0 110.16 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -58.26 81.43 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.355 -0.84 . . . . 0.0 110.091 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 686' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 164.96 -45.31 0.29 Allowed Glycine 0 N--CA 1.488 2.131 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 45.9 m0 -86.57 30.48 0.72 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.084 -1.245 . . . . 0.0 110.312 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 688' ' ' GLU . . . . . 0.618 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.1 mt-10 -85.86 -47.68 0.57 Allowed Pre-proline 0 N--CA 1.496 1.83 0 O-C-N 121.137 -0.977 . . . . 0.0 110.254 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 689' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.6 Cg_endo -69.53 -3.97 12.93 Favored 'Trans proline' 0 C--N 1.315 -1.2 0 O-C-N 123.272 1.143 . . . . 0.0 110.386 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 690' ' ' SER . . . . . 0.509 ' CB ' ' CE1' ' A' ' 675' ' ' TYR . 1.2 p 71.06 59.41 0.18 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.29 -0.881 . . . . 0.0 109.757 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -80.18 1.11 29.54 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.218 -0.926 . . . . 0.0 111.179 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 692' ' ' VAL . . . . . 0.597 HG21 HD21 ' A' ' 695' ' ' LEU . 9.1 m -132.61 87.77 40.63 Favored Pre-proline 0 N--CA 1.494 1.729 0 O-C-N 121.011 -1.056 . . . . 0.0 110.231 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -59.5 -34.75 97.02 Favored 'Trans proline' 0 C--N 1.31 -1.45 0 O-C-N 123.79 1.416 . . . . 0.0 110.516 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -44.87 -26.8 0.45 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.19 -0.944 . . . . 0.0 109.893 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 695' ' ' LEU . . . . . 0.647 ' C ' HD12 ' A' ' 695' ' ' LEU . 4.6 pp -129.59 -1.3 4.9 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.365 -0.835 . . . . 0.0 110.125 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 696' ' ' TRP . . . . . 0.527 ' CD1' HD11 ' A' ' 695' ' ' LEU . 0.9 OUTLIER -119.45 98.24 6.04 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.222 -0.924 . . . . 0.0 110.045 179.552 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 697' ' ' GLN . . . . . 0.422 ' O ' ' HB2' ' A' ' 676' ' ' LYS . 24.2 tp60 -99.33 98.38 9.33 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.059 -1.026 . . . . 0.0 109.394 179.575 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 698' ' ' LEU . . . . . 1.024 HD12 ' N ' ' A' ' 699' ' ' GLN . 0.8 OUTLIER -91.33 175.4 6.94 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.228 -0.92 . . . . 0.0 111.281 -179.01 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 699' ' ' GLN . . . . . 1.024 ' N ' HD12 ' A' ' 698' ' ' LEU . 2.4 pt20 . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.641 -0.662 . . . . 0.0 110.208 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 656' ' ' TRP . . . . . . . . . . . . . 77.6 t90 . . . . . 0 N--CA 1.492 1.625 0 CA-C-O 121.215 0.531 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -123.54 135.43 54.01 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.262 -0.899 . . . . 0.0 110.18 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 658' ' ' VAL . . . . . . . . . . . . . 14.5 p -76.4 158.54 5.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.265 -0.897 . . . . 0.0 110.213 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 27.1 t30 53.84 57.59 5.89 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.285 -0.884 . . . . 0.0 110.136 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 660' ' ' THR . . . . . 0.746 ' O ' HG23 ' A' ' 682' ' ' THR . 62.2 m -138.05 169.35 17.95 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.305 -0.872 . . . . 0.0 110.38 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 661' ' ' ALA . . . . . 0.51 ' N ' HG22 ' A' ' 660' ' ' THR . . . -112.03 115.34 28.75 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.29 -0.881 . . . . 0.0 110.251 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 662' ' ' TYR . . . . . 0.475 ' HE2' ' HG ' ' A' ' 683' ' ' SER . 20.0 m-85 -109.26 155.14 21.49 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.272 -0.892 . . . . 0.0 110.065 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.64 -167.31 1.45 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.227 -0.92 . . . . 0.0 110.368 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 664' ' ' ALA . . . . . 0.852 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -90.32 63.74 5.78 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.244 -0.91 . . . . 0.0 110.518 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 665' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 155.89 36.79 0.02 OUTLIER Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.72 -1.352 . . . . 0.0 109.72 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 666' ' ' GLN . . . . . 0.481 ' HB2' ' CB ' ' A' ' 677' ' ' CYS . 1.0 OUTLIER -90.66 -177.18 4.94 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.175 -1.191 . . . . 0.0 110.361 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 48.6 mt -143.64 91.98 2.3 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.277 -0.889 . . . . 0.0 110.189 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 668' ' ' VAL . . . . . . . . . . . . . 2.8 m -100.55 168.7 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.297 -0.877 . . . . 0.0 110.224 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 24.0 p . . . . . 0 N--CA 1.489 1.508 0 O-C-N 121.134 -0.979 . . . . 0.0 109.901 179.589 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 674' ' ' THR . . . . . 0.491 ' O ' ' HB2' ' A' ' 698' ' ' LEU . 95.5 m . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.242 0.544 . . . . 0.0 110.362 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 675' ' ' TYR . . . . . 0.59 ' CE2' ' HB3' ' A' ' 698' ' ' LEU . 25.9 m-85 -130.28 160.52 33.65 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.275 -0.89 . . . . 0.0 110.529 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 676' ' ' LYS . . . . . 0.751 ' HE2' HD21 ' A' ' 678' ' ' LEU . 0.2 OUTLIER -140.44 131.9 26.93 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.334 -0.854 . . . . 0.0 109.76 179.352 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 677' ' ' CYS . . . . . 0.52 ' O ' ' N ' ' A' ' 665' ' ' GLY . 0.5 OUTLIER -75.76 136.75 40.29 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.22 -0.925 . . . . 0.0 110.141 -179.754 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.751 HD21 ' HE2' ' A' ' 676' ' ' LYS . 0.8 OUTLIER -117.33 -5.24 11.3 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.284 -0.885 . . . . 0.0 110.136 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 679' ' ' GLN . . . . . 0.445 ' N ' ' HA ' ' A' ' 664' ' ' ALA . 4.0 tt0 -142.94 143.42 25.16 Favored Pre-proline 0 N--CA 1.492 1.671 0 O-C-N 121.239 -0.913 . . . . 0.0 110.162 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 680' ' ' PRO . . . . . 0.852 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 2.9 Cg_endo -61.79 101.36 0.22 Allowed 'Trans proline' 0 C--N 1.313 -1.29 0 O-C-N 123.5 1.263 . . . . 0.0 110.589 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 681' ' ' HIS . . . . . 0.719 ' CD2' ' O ' ' A' ' 680' ' ' PRO . 32.1 m170 -144.86 -169.3 3.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.189 -0.944 . . . . 0.0 110.26 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 682' ' ' THR . . . . . 0.746 HG23 ' O ' ' A' ' 660' ' ' THR . 33.9 m -131.07 127.05 37.42 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.319 -0.863 . . . . 0.0 110.207 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 683' ' ' SER . . . . . 0.475 ' HG ' ' HE2' ' A' ' 662' ' ' TYR . 28.9 m -71.74 146.72 47.95 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.248 -0.908 . . . . 0.0 110.235 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 684' ' ' LEU . . . . . 0.552 ' H ' HD23 ' A' ' 684' ' ' LEU . 1.1 pt? -150.24 173.96 13.36 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.166 -0.959 . . . . 0.0 110.38 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -63.69 72.16 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.231 -0.918 . . . . 0.0 110.308 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 686' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 177.36 -31.99 0.08 OUTLIER Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -88.64 39.34 0.91 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.22 -1.165 . . . . 0.0 110.379 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 688' ' ' GLU . . . . . 0.577 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.7 mt-10 -89.34 -49.0 0.4 Allowed Pre-proline 0 N--CA 1.493 1.713 0 O-C-N 121.161 -0.962 . . . . 0.0 110.523 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 689' ' ' PRO . . . . . 0.577 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.3 Cg_endo -71.32 -2.56 11.41 Favored 'Trans proline' 0 C--N 1.315 -1.231 0 O-C-N 123.16 1.084 . . . . 0.0 110.38 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 690' ' ' SER . . . . . 0.487 ' O ' ' OG ' ' A' ' 690' ' ' SER . 1.4 p 69.9 62.04 0.25 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.446 -0.784 . . . . 0.0 109.808 -179.252 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -79.41 1.83 23.98 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.21 -0.932 . . . . 0.0 110.735 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 692' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 692' ' ' VAL . 29.3 m -135.17 77.23 55.65 Favored Pre-proline 0 N--CA 1.494 1.729 0 O-C-N 121.14 -0.975 . . . . 0.0 110.032 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -59.78 -26.28 81.77 Favored 'Trans proline' 0 C--N 1.311 -1.406 0 O-C-N 123.691 1.364 . . . . 0.0 110.732 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -51.34 -25.28 5.74 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.186 -0.946 . . . . 0.0 110.034 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 695' ' ' LEU . . . . . 0.901 HD12 ' N ' ' A' ' 696' ' ' TRP . 4.0 pp -128.08 -16.93 4.45 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.298 -0.877 . . . . 0.0 110.643 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 696' ' ' TRP . . . . . 0.901 ' N ' HD12 ' A' ' 695' ' ' LEU . 0.3 OUTLIER -104.15 94.0 5.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.032 -1.043 . . . . 0.0 110.156 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 697' ' ' GLN . . . . . 0.481 ' HB3' ' HG2' ' A' ' 676' ' ' LYS . 2.4 tp60 -99.81 113.23 25.6 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.17 -0.956 . . . . 0.0 109.891 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 698' ' ' LEU . . . . . 0.758 HD12 ' N ' ' A' ' 699' ' ' GLN . 1.1 pp -104.32 -169.99 1.7 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.157 -0.965 . . . . 0.0 110.698 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 699' ' ' GLN . . . . . 0.758 ' N ' HD12 ' A' ' 698' ' ' LEU . 5.8 pt20 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.379 -0.825 . . . . 0.0 110.082 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 656' ' ' TRP . . . . . 0.447 ' CZ2' ' HB2' ' A' ' 683' ' ' SER . 73.6 t90 . . . . . 0 N--CA 1.492 1.659 0 CA-C-O 121.243 0.544 . . . . 0.0 110.23 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -137.67 133.23 34.01 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.22 -0.925 . . . . 0.0 110.233 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 658' ' ' VAL . . . . . 0.447 ' O ' ' HB2' ' A' ' 659' ' ' ASN . 17.5 m -60.64 154.3 4.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.246 -0.909 . . . . 0.0 110.301 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 659' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' A' ' 658' ' ' VAL . 12.1 m120 56.55 55.67 6.26 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.303 -0.873 . . . . 0.0 110.211 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 660' ' ' THR . . . . . 0.425 ' O ' ' OG ' ' A' ' 683' ' ' SER . 89.5 m -139.78 124.49 18.36 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.197 -0.939 . . . . 0.0 110.397 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -71.82 130.04 40.11 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.313 -0.867 . . . . 0.0 110.27 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 662' ' ' TYR . . . . . 0.436 ' CD2' ' OG ' ' A' ' 683' ' ' SER . 10.8 m-85 -122.23 166.07 15.2 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.194 -0.941 . . . . 0.0 109.881 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.82 -167.47 1.19 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.183 -0.948 . . . . 0.0 110.353 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 664' ' ' ALA . . . . . 0.849 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -86.91 127.92 35.06 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.335 -0.853 . . . . 0.0 110.409 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 81.46 38.46 14.55 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.792 -1.323 . . . . 0.0 109.792 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 666' ' ' GLN . . . . . 0.51 ' O ' ' HA ' ' A' ' 676' ' ' LYS . 0.0 OUTLIER -88.18 174.43 8.23 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.182 -1.187 . . . . 0.0 109.885 179.812 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -133.23 89.17 2.57 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.176 -0.952 . . . . 0.0 110.543 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 668' ' ' VAL . . . . . . . . . . . . . 3.0 m -100.01 167.92 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.178 -0.951 . . . . 0.0 109.696 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.492 1.645 0 O-C-N 121.087 -1.008 . . . . 0.0 110.194 179.761 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 674' ' ' THR . . . . . . . . . . . . . 2.8 m . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 675' ' ' TYR . . . . . 0.6 ' CE2' ' HB3' ' A' ' 698' ' ' LEU . 19.1 m-85 -130.05 157.74 41.53 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.987 -1.071 . . . . 0.0 111.214 -179.129 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 676' ' ' LYS . . . . . 0.51 ' HA ' ' O ' ' A' ' 666' ' ' GLN . 0.0 OUTLIER -140.9 126.69 19.16 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.527 -0.733 . . . . 0.0 109.417 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.77 160.51 28.34 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.144 -0.973 . . . . 0.0 110.359 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.59 ' O ' ' HB1' ' A' ' 664' ' ' ALA . 0.9 OUTLIER -124.29 -28.84 3.62 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.24 -0.912 . . . . 0.0 110.692 -179.876 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 679' ' ' GLN . . . . . 0.546 ' HB3' ' NE2' ' A' ' 681' ' ' HIS . 42.8 mm-40 -126.74 146.44 57.12 Favored Pre-proline 0 N--CA 1.493 1.715 0 O-C-N 121.153 -0.967 . . . . 0.0 110.557 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 680' ' ' PRO . . . . . 0.849 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.0 Cg_exo -62.94 116.0 3.29 Favored 'Trans proline' 0 C--N 1.314 -1.263 0 O-C-N 123.632 1.333 . . . . 0.0 110.89 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 681' ' ' HIS . . . . . 0.546 ' NE2' ' HB3' ' A' ' 679' ' ' GLN . 89.2 m-70 -155.42 -156.58 0.66 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.232 -0.917 . . . . 0.0 110.258 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 682' ' ' THR . . . . . 0.571 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 20.6 m -131.4 127.84 38.34 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.22 -0.925 . . . . 0.0 110.299 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 683' ' ' SER . . . . . 0.447 ' HB2' ' CZ2' ' A' ' 656' ' ' TRP . 0.0 OUTLIER -85.24 138.93 32.02 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.32 -0.863 . . . . 0.0 109.762 179.63 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 684' ' ' LEU . . . . . 0.589 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.7 OUTLIER -141.77 -178.25 5.58 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.321 -0.862 . . . . 0.0 110.693 -179.716 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -64.4 74.91 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.362 -0.836 . . . . 0.0 110.229 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 686' ' ' GLY . . . . . 0.478 ' O ' ' HD2' ' A' ' 689' ' ' PRO . . . 174.72 -32.46 0.1 OUTLIER Glycine 0 N--CA 1.487 2.099 0 N-CA-C 109.44 -1.464 . . . . 0.0 109.44 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 687' ' ' TRP . . . . . 0.571 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 40.7 m0 -85.68 30.89 0.62 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.241 -1.152 . . . . 0.0 110.399 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 688' ' ' GLU . . . . . 0.603 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 2.6 mt-10 -87.38 -47.01 0.49 Allowed Pre-proline 0 N--CA 1.494 1.74 0 O-C-N 120.965 -1.085 . . . . 0.0 110.642 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 689' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.6 Cg_endo -70.65 -0.82 8.24 Favored 'Trans proline' 0 C--N 1.315 -1.215 0 O-C-N 123.173 1.091 . . . . 0.0 110.515 179.728 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 690' ' ' SER . . . . . 0.471 ' O ' ' OG ' ' A' ' 690' ' ' SER . 2.3 p 61.68 56.62 2.43 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.229 -0.919 . . . . 0.0 109.74 -179.412 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 691' ' ' ASN . . . . . 0.406 ' OD1' ' HB2' ' A' ' 689' ' ' PRO . 6.7 m-20 -79.72 4.05 17.45 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.22 -0.925 . . . . 0.0 110.501 -179.499 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 692' ' ' VAL . . . . . 0.72 HG23 HD11 ' A' ' 695' ' ' LEU . 18.2 m -138.06 82.53 24.7 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.066 -1.021 . . . . 0.0 110.47 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -60.89 -17.39 50.69 Favored 'Trans proline' 0 C--N 1.312 -1.375 0 O-C-N 123.628 1.331 . . . . 0.0 110.386 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -52.81 -35.95 57.76 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.265 -0.897 . . . . 0.0 109.931 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 695' ' ' LEU . . . . . 0.892 HD12 ' N ' ' A' ' 696' ' ' TRP . 1.3 pp -127.44 -4.49 6.03 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.307 -0.871 . . . . 0.0 110.057 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 696' ' ' TRP . . . . . 0.892 ' N ' HD12 ' A' ' 695' ' ' LEU . 1.1 m95 -116.44 89.63 3.15 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.19 -0.944 . . . . 0.0 110.358 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 697' ' ' GLN . . . . . 0.501 ' HB3' ' CD ' ' A' ' 676' ' ' LYS . 0.9 OUTLIER -99.17 113.21 25.34 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.153 -0.967 . . . . 0.0 109.422 179.61 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 698' ' ' LEU . . . . . 0.6 ' HB3' ' CE2' ' A' ' 675' ' ' TYR . 0.6 OUTLIER -91.5 177.54 6.2 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.24 -0.912 . . . . 0.0 110.852 -179.258 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 699' ' ' GLN . . . . . 0.487 ' HG2' ' O ' ' A' ' 698' ' ' LEU . 30.5 mt-30 . . . . . 0 N--CA 1.492 1.625 0 O-C-N 121.551 -0.718 . . . . 0.0 110.214 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 656' ' ' TRP . . . . . 0.459 ' CZ2' ' HA ' ' A' ' 658' ' ' VAL . 56.6 t90 . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.201 0.525 . . . . 0.0 110.051 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -127.3 139.52 52.83 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.267 -0.896 . . . . 0.0 110.109 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 658' ' ' VAL . . . . . 0.459 ' HA ' ' CZ2' ' A' ' 656' ' ' TRP . 13.9 p -77.92 158.76 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.143 -0.973 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 50.68 56.07 8.54 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.27 -0.894 . . . . 0.0 109.998 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 660' ' ' THR . . . . . 0.416 HG22 ' N ' ' A' ' 661' ' ' ALA . 50.7 m -135.72 164.24 28.33 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.219 -0.925 . . . . 0.0 110.425 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 661' ' ' ALA . . . . . 0.416 ' N ' HG22 ' A' ' 660' ' ' THR . . . -106.12 115.52 30.37 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.302 -0.874 . . . . 0.0 110.086 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -111.68 154.18 25.33 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.175 -0.953 . . . . 0.0 110.368 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 1.3 p -102.13 178.69 4.53 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.283 -0.886 . . . . 0.0 109.996 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 664' ' ' ALA . . . . . 0.985 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -77.07 125.65 29.67 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.16 -0.962 . . . . 0.0 110.166 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 665' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 93.53 30.01 9.53 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 666' ' ' GLN . . . . . 0.548 ' CB ' ' HB2' ' A' ' 677' ' ' CYS . 0.9 OUTLIER -90.2 174.54 7.56 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.321 -1.106 . . . . 0.0 110.143 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 667' ' ' LEU . . . . . 0.445 HD23 ' C ' ' A' ' 667' ' ' LEU . 2.5 tt -132.74 102.96 5.87 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.267 -0.896 . . . . 0.0 110.286 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 668' ' ' VAL . . . . . 0.454 ' HB ' ' HB2' ' A' ' 656' ' ' TRP . 2.9 m -111.31 171.71 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.252 -0.905 . . . . 0.0 109.973 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.493 1.675 0 O-C-N 121.135 -0.978 . . . . 0.0 109.877 179.668 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 674' ' ' THR . . . . . 0.76 ' O ' HD12 ' A' ' 698' ' ' LEU . 52.2 m . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.343 0.592 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 675' ' ' TYR . . . . . 0.882 ' CZ ' HD13 ' A' ' 698' ' ' LEU . 28.6 m-85 -124.22 167.15 14.68 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.288 -0.882 . . . . 0.0 110.224 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 676' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 697' ' ' GLN . 1.7 mptt -140.08 124.73 18.18 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.26 -0.9 . . . . 0.0 110.064 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 677' ' ' CYS . . . . . 0.548 ' HB2' ' CB ' ' A' ' 666' ' ' GLN . 0.1 OUTLIER -67.18 142.46 57.0 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.255 -0.903 . . . . 0.0 110.341 -179.765 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.702 ' O ' HD23 ' A' ' 678' ' ' LEU . 2.1 tt -116.21 -23.45 8.41 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.264 -0.897 . . . . 0.0 110.268 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 679' ' ' GLN . . . . . 0.51 ' NE2' ' O ' ' A' ' 694' ' ' ALA . 60.1 mt-30 -132.16 142.09 43.79 Favored Pre-proline 0 N--CA 1.492 1.636 0 O-C-N 121.189 -0.944 . . . . 0.0 110.423 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 680' ' ' PRO . . . . . 0.985 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 2.8 Cg_endo -64.36 104.15 0.5 Allowed 'Trans proline' 0 C--N 1.313 -1.308 0 O-C-N 123.57 1.3 . . . . 0.0 110.463 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 681' ' ' HIS . . . . . 0.512 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 19.1 m-70 -149.38 -163.17 1.72 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.31 -0.869 . . . . 0.0 110.301 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 98.5 m -119.02 135.22 54.74 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.22 -0.925 . . . . 0.0 110.586 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 5.9 p -87.51 139.03 30.96 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.243 -0.911 . . . . 0.0 109.582 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 684' ' ' LEU . . . . . 0.79 ' H ' HD23 ' A' ' 684' ' ' LEU . 1.8 pt? -147.74 172.06 14.69 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.19 -0.944 . . . . 0.0 111.001 -179.555 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -60.51 77.38 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.504 -0.747 . . . . 0.0 109.973 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 686' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 175.55 -43.44 0.12 Allowed Glycine 0 N--CA 1.487 2.074 0 N-CA-C 108.424 -1.87 . . . . 0.0 108.424 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 44.7 m0 -87.97 32.58 0.74 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.35 -1.088 . . . . 0.0 109.918 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 688' ' ' GLU . . . . . 0.616 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.6 mt-10 -88.56 -46.38 0.45 Allowed Pre-proline 0 N--CA 1.495 1.803 0 O-C-N 121.38 -0.825 . . . . 0.0 111.041 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 689' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.9 Cg_endo -68.1 -6.31 16.88 Favored 'Trans proline' 0 C--N 1.315 -1.204 0 O-C-N 123.239 1.126 . . . . 0.0 110.242 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 690' ' ' SER . . . . . 0.574 ' CB ' ' CE1' ' A' ' 675' ' ' TYR . 1.2 p 67.03 41.39 2.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.392 -0.818 . . . . 0.0 110.044 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 691' ' ' ASN . . . . . 0.844 ' OD1' HG13 ' A' ' 692' ' ' VAL . 19.0 p30 -79.7 4.95 14.64 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.224 -0.923 . . . . 0.0 110.166 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 692' ' ' VAL . . . . . 0.844 HG13 ' OD1' ' A' ' 691' ' ' ASN . 16.8 m -125.18 78.88 66.6 Favored Pre-proline 0 N--CA 1.491 1.625 0 O-C-N 121.229 -0.92 . . . . 0.0 110.275 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -60.41 -16.4 41.43 Favored 'Trans proline' 0 C--N 1.311 -1.429 0 O-C-N 123.616 1.324 . . . . 0.0 110.554 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 694' ' ' ALA . . . . . 0.51 ' O ' ' NE2' ' A' ' 679' ' ' GLN . . . -56.46 -35.56 68.05 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.207 -0.933 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 695' ' ' LEU . . . . . 1.059 ' O ' HD22 ' A' ' 695' ' ' LEU . 0.0 OUTLIER -122.38 -10.9 8.41 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.291 -0.881 . . . . 0.0 110.318 -179.727 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 696' ' ' TRP . . . . . 1.044 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.2 OUTLIER -99.48 145.9 26.95 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.136 -0.977 . . . . 0.0 110.44 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 697' ' ' GLN . . . . . 0.481 ' O ' ' HB2' ' A' ' 676' ' ' LYS . 8.8 tt0 -134.48 82.2 1.95 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.414 -0.804 . . . . 0.0 109.718 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 698' ' ' LEU . . . . . 0.882 HD13 ' CZ ' ' A' ' 675' ' ' TYR . 35.2 tp -58.24 152.67 16.74 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.29 -0.881 . . . . 0.0 110.483 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 699' ' ' GLN . . . . . 0.456 ' HG3' ' HD3' ' A' ' 676' ' ' LYS . 11.6 mm100 . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.339 -0.851 . . . . 0.0 110.192 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 656' ' ' TRP . . . . . 0.474 ' NE1' ' OG ' ' A' ' 683' ' ' SER . 51.9 t90 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.25 0.548 . . . . 0.0 110.237 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 657' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 658' ' ' VAL . 45.5 mt-30 -146.88 101.28 3.42 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.29 -0.881 . . . . 0.0 110.205 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 658' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 657' ' ' GLN . 2.7 p -43.17 148.27 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.109 -0.995 . . . . 0.0 110.18 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 2.9 t30 61.65 59.73 1.76 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.215 -0.928 . . . . 0.0 109.876 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 660' ' ' THR . . . . . 0.624 ' O ' HG23 ' A' ' 682' ' ' THR . 3.2 m -139.01 159.54 41.9 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.115 -0.991 . . . . 0.0 110.447 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -101.22 103.4 14.42 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.349 -0.844 . . . . 0.0 109.91 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -99.79 140.99 33.19 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.224 -0.922 . . . . 0.0 110.282 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 663' ' ' THR . . . . . 0.472 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 31.4 p -102.11 158.65 16.01 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.289 -0.882 . . . . 0.0 109.931 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 664' ' ' ALA . . . . . 0.914 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -49.64 140.3 11.31 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.212 -0.93 . . . . 0.0 110.384 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 665' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 73.4 30.59 62.24 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.774 -1.331 . . . . 0.0 109.774 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 666' ' ' GLN . . . . . 0.548 ' HB2' ' CB ' ' A' ' 677' ' ' CYS . 0.4 OUTLIER -84.45 -175.41 5.77 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.214 -1.168 . . . . 0.0 110.112 179.768 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 667' ' ' LEU . . . . . 0.495 ' HA ' HD23 ' A' ' 667' ' ' LEU . 7.3 mt -147.87 109.05 4.28 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.119 -0.988 . . . . 0.0 110.497 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 668' ' ' VAL . . . . . . . . . . . . . 3.0 m -120.69 163.27 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.273 -0.892 . . . . 0.0 109.856 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 30.9 p . . . . . 0 N--CA 1.493 1.697 0 O-C-N 120.981 -1.074 . . . . 0.0 110.123 179.676 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 674' ' ' THR . . . . . 0.437 ' HB ' ' CG ' ' A' ' 699' ' ' GLN . 1.1 m . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 121.235 0.54 . . . . 0.0 109.827 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 675' ' ' TYR . . . . . 0.63 ' CE1' ' CB ' ' A' ' 690' ' ' SER . 22.8 m-85 -130.86 151.15 51.59 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.208 -0.933 . . . . 0.0 110.776 -179.446 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 676' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 697' ' ' GLN . 0.0 OUTLIER -132.41 134.3 44.96 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.467 -0.771 . . . . 0.0 109.515 179.495 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 677' ' ' CYS . . . . . 0.548 ' CB ' ' HB2' ' A' ' 666' ' ' GLN . 0.1 OUTLIER -85.39 148.34 26.06 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.25 -0.907 . . . . 0.0 110.271 -179.627 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.31 -18.92 9.13 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.278 -0.888 . . . . 0.0 110.189 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -131.6 145.83 59.28 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.209 -0.932 . . . . 0.0 110.247 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 680' ' ' PRO . . . . . 0.914 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 2.9 Cg_endo -61.58 94.68 0.12 Allowed 'Trans proline' 0 C--N 1.311 -1.423 0 O-C-N 123.641 1.338 . . . . 0.0 110.412 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 681' ' ' HIS . . . . . . . . . . . . . 18.2 m80 -136.3 164.29 28.43 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.241 -0.912 . . . . 0.0 110.179 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 682' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 660' ' ' THR . 22.6 m -103.79 125.34 50.17 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.311 -0.868 . . . . 0.0 110.364 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 683' ' ' SER . . . . . 0.474 ' OG ' ' NE1' ' A' ' 656' ' ' TRP . 12.0 t -68.93 141.29 55.04 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.33 -0.856 . . . . 0.0 110.002 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 684' ' ' LEU . . . . . 0.646 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.6 OUTLIER -152.7 179.38 8.67 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.174 -0.954 . . . . 0.0 110.757 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -60.24 84.7 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.416 -0.803 . . . . 0.0 110.039 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 686' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 163.09 -39.92 0.34 Allowed Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 687' ' ' TRP . . . . . 0.428 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 51.5 m0 -88.91 37.87 0.86 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.174 -1.192 . . . . 0.0 110.058 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 688' ' ' GLU . . . . . 0.581 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.4 mt-10 -89.35 -49.0 0.4 Allowed Pre-proline 0 N--CA 1.493 1.71 0 O-C-N 121.322 -0.861 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 689' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.4 Cg_endo -71.81 -2.63 11.75 Favored 'Trans proline' 0 C--N 1.316 -1.177 0 O-C-N 123.231 1.121 . . . . 0.0 110.036 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 690' ' ' SER . . . . . 0.63 ' CB ' ' CE1' ' A' ' 675' ' ' TYR . 4.7 p 58.07 56.89 4.33 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.351 -0.843 . . . . 0.0 109.474 -179.153 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -89.38 24.05 2.35 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.471 -0.768 . . . . 0.0 110.844 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 692' ' ' VAL . . . . . 0.436 HG23 ' HD1' ' A' ' 696' ' ' TRP . 2.1 m -139.93 88.58 11.85 Favored Pre-proline 0 N--CA 1.492 1.634 0 O-C-N 121.143 -0.973 . . . . 0.0 110.163 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -61.81 -11.16 19.65 Favored 'Trans proline' 0 C--N 1.314 -1.249 0 O-C-N 123.795 1.418 . . . . 0.0 110.75 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -62.84 -33.29 74.93 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.226 -0.921 . . . . 0.0 110.476 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 695' ' ' LEU . . . . . 0.736 ' C ' HD12 ' A' ' 695' ' ' LEU . 3.5 pp -140.21 10.33 2.33 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.028 -1.045 . . . . 0.0 110.925 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 696' ' ' TRP . . . . . 0.545 ' CD1' ' CD1' ' A' ' 695' ' ' LEU . 0.4 OUTLIER -130.39 88.85 2.69 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.935 -1.103 . . . . 0.0 110.936 -179.736 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 697' ' ' GLN . . . . . 0.451 ' O ' ' HG2' ' A' ' 676' ' ' LYS . 2.0 tp-100 -99.83 115.29 29.24 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.199 -0.938 . . . . 0.0 109.385 179.144 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 698' ' ' LEU . . . . . 0.785 HD12 ' N ' ' A' ' 699' ' ' GLN . 0.9 OUTLIER -89.82 -175.16 4.54 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.075 -1.016 . . . . 0.0 110.91 -179.189 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 699' ' ' GLN . . . . . 0.785 ' N ' HD12 ' A' ' 698' ' ' LEU . 1.9 pt20 . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.555 -0.715 . . . . 0.0 110.07 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 656' ' ' TRP . . . . . 0.796 ' CH2' HG12 ' A' ' 658' ' ' VAL . 57.9 t90 . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.241 0.543 . . . . 0.0 110.143 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 657' ' ' GLN . . . . . 0.436 ' HG2' ' C ' ' A' ' 656' ' ' TRP . 1.9 mt-30 -127.06 131.32 50.94 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.178 -0.951 . . . . 0.0 110.299 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 658' ' ' VAL . . . . . 0.796 HG12 ' CH2' ' A' ' 656' ' ' TRP . 5.7 m -69.59 166.97 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.232 -0.917 . . . . 0.0 109.952 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 49.22 50.58 17.78 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.132 -0.98 . . . . 0.0 109.75 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 660' ' ' THR . . . . . 0.746 ' O ' HG23 ' A' ' 682' ' ' THR . 55.2 m -133.57 168.44 18.65 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.189 -0.944 . . . . 0.0 110.413 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 661' ' ' ALA . . . . . 0.536 ' N ' HG22 ' A' ' 660' ' ' THR . . . -117.24 106.32 13.17 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.282 -0.886 . . . . 0.0 110.018 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -101.13 155.72 17.84 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.228 -0.92 . . . . 0.0 110.319 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 663' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 62.5 p -100.8 -173.21 2.33 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.232 -0.918 . . . . 0.0 110.297 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 664' ' ' ALA . . . . . 0.887 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -81.36 124.95 29.81 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.296 -0.878 . . . . 0.0 110.172 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 89.92 27.8 20.33 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 666' ' ' GLN . . . . . 0.436 ' HB2' ' HB3' ' A' ' 677' ' ' CYS . 1.1 tm0? -87.93 172.2 9.76 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.163 -1.198 . . . . 0.0 110.05 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 667' ' ' LEU . . . . . 0.625 HD11 ' HE3' ' A' ' 676' ' ' LYS . 0.3 OUTLIER -130.65 127.85 39.77 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.095 -1.003 . . . . 0.0 110.445 -179.828 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 668' ' ' VAL . . . . . 0.537 ' CG2' ' HB2' ' A' ' 675' ' ' TYR . 3.0 m -135.25 171.11 18.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.435 -0.791 . . . . 0.0 109.955 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 17.4 p . . . . . 0 N--CA 1.49 1.545 0 O-C-N 121.197 -0.94 . . . . 0.0 110.157 179.708 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 674' ' ' THR . . . . . 0.617 ' O ' HD12 ' A' ' 698' ' ' LEU . 1.6 m . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.349 0.595 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 675' ' ' TYR . . . . . 0.621 ' CZ ' HD13 ' A' ' 698' ' ' LEU . 20.4 m-85 -131.01 167.57 18.83 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.227 -0.921 . . . . 0.0 110.007 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 676' ' ' LYS . . . . . 0.625 ' HE3' HD11 ' A' ' 667' ' ' LEU . 3.0 mptt -138.63 101.04 4.24 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.177 -0.952 . . . . 0.0 110.604 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 677' ' ' CYS . . . . . 0.436 ' HB3' ' HB2' ' A' ' 666' ' ' GLN . 0.1 OUTLIER -54.89 146.91 16.33 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.187 -0.946 . . . . 0.0 109.89 179.711 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -127.98 -5.36 5.62 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.234 -0.916 . . . . 0.0 110.521 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 679' ' ' GLN . . . . . 0.421 ' HB2' ' HB2' ' A' ' 695' ' ' LEU . 2.0 tt0 -144.01 143.8 24.11 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.108 -0.995 . . . . 0.0 110.371 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 680' ' ' PRO . . . . . 0.887 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 2.9 Cg_endo -63.68 94.1 0.18 Allowed 'Trans proline' 0 C--N 1.315 -1.237 0 O-C-N 123.558 1.294 . . . . 0.0 110.82 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 681' ' ' HIS . . . . . 0.501 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 4.7 m-70 -138.61 179.76 6.28 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.227 -0.921 . . . . 0.0 109.792 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 682' ' ' THR . . . . . 0.746 HG23 ' O ' ' A' ' 660' ' ' THR . 49.4 m -117.36 131.71 56.73 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.175 -0.953 . . . . 0.0 110.452 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.63 148.77 27.78 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.297 -0.877 . . . . 0.0 109.88 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 684' ' ' LEU . . . . . 0.603 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.6 OUTLIER -147.91 -176.24 5.2 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.269 -0.894 . . . . 0.0 110.496 -179.881 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -67.3 81.8 0.14 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.294 -0.879 . . . . 0.0 110.13 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 686' ' ' GLY . . . . . 0.431 ' O ' ' HD2' ' A' ' 689' ' ' PRO . . . 162.13 -29.43 0.28 Allowed Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.743 -1.343 . . . . 0.0 109.743 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 28.5 m0 -86.7 32.79 0.65 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.148 -1.207 . . . . 0.0 110.373 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 688' ' ' GLU . . . . . 0.596 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.4 mt-10 -88.92 -47.01 0.43 Allowed Pre-proline 0 N--CA 1.496 1.837 0 O-C-N 121.182 -0.949 . . . . 0.0 111.109 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 689' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.8 Cg_endo -68.76 -3.9 12.2 Favored 'Trans proline' 0 C--N 1.313 -1.309 0 O-C-N 123.186 1.098 . . . . 0.0 110.683 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 690' ' ' SER . . . . . 0.505 ' O ' ' OG ' ' A' ' 690' ' ' SER . 1.3 p 69.34 57.28 0.36 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.414 -0.804 . . . . 0.0 110.171 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 691' ' ' ASN . . . . . 0.442 ' C ' ' HD3' ' A' ' 693' ' ' PRO . 48.7 m-20 -79.42 -14.29 59.03 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.977 -1.077 . . . . 0.0 110.428 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 692' ' ' VAL . . . . . 0.547 HG23 ' CD1' ' A' ' 695' ' ' LEU . 19.7 m -116.27 76.76 7.0 Favored Pre-proline 0 N--CA 1.492 1.657 0 O-C-N 121.302 -0.874 . . . . 0.0 110.07 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 693' ' ' PRO . . . . . 0.442 ' HD3' ' C ' ' A' ' 691' ' ' ASN . 3.1 Cg_exo -58.69 -21.16 54.48 Favored 'Trans proline' 0 C--N 1.309 -1.51 0 O-C-N 123.618 1.325 . . . . 0.0 110.345 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -51.54 -44.3 62.6 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.19 -0.944 . . . . 0.0 110.029 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 695' ' ' LEU . . . . . 1.079 HD13 ' N ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -109.5 -12.39 14.7 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.198 -0.939 . . . . 0.0 109.995 179.854 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 696' ' ' TRP . . . . . 1.079 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.6 OUTLIER -99.33 108.25 20.73 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.093 -1.004 . . . . 0.0 109.824 179.505 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 697' ' ' GLN . . . . . 0.496 ' O ' ' HB2' ' A' ' 676' ' ' LYS . 4.8 tp60 -102.54 84.29 2.41 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.213 -0.929 . . . . 0.0 110.317 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 698' ' ' LEU . . . . . 0.621 HD13 ' CZ ' ' A' ' 675' ' ' TYR . 16.3 tp -58.0 151.81 17.74 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.214 -0.929 . . . . 0.0 110.097 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 699' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.258 -0.901 . . . . 0.0 110.251 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 656' ' ' TRP . . . . . 0.876 ' CZ3' HG22 ' A' ' 658' ' ' VAL . 84.1 t90 . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.184 0.516 . . . . 0.0 110.317 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -103.82 123.11 46.5 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.26 -0.9 . . . . 0.0 110.079 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 658' ' ' VAL . . . . . 0.876 HG22 ' CZ3' ' A' ' 656' ' ' TRP . 57.4 t -57.9 146.34 7.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.184 -0.947 . . . . 0.0 110.197 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 7.7 t30 61.16 49.84 5.31 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.199 -0.938 . . . . 0.0 110.117 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 34.9 m -135.23 131.82 37.1 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.357 -0.839 . . . . 0.0 110.228 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -69.13 141.49 54.63 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.146 -0.971 . . . . 0.0 110.244 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -136.73 160.35 39.12 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.378 -0.826 . . . . 0.0 110.004 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 663' ' ' THR . . . . . 0.473 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 1.6 p -110.08 -177.61 3.3 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.174 -0.954 . . . . 0.0 110.076 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 664' ' ' ALA . . . . . 1.068 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -79.43 159.12 27.16 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.183 -0.948 . . . . 0.0 110.229 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 665' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 61.03 20.45 57.95 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.617 -1.393 . . . . 0.0 109.617 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 666' ' ' GLN . . . . . 0.48 ' HA ' ' OE1' ' A' ' 666' ' ' GLN . 0.0 OUTLIER -81.75 177.94 8.6 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.185 -1.185 . . . . 0.0 110.142 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 667' ' ' LEU . . . . . 0.555 HD23 ' C ' ' A' ' 667' ' ' LEU . 4.6 tt -142.76 104.29 4.33 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.105 -0.997 . . . . 0.0 110.333 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 668' ' ' VAL . . . . . . . . . . . . . 3.0 m -110.02 170.84 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.285 -0.885 . . . . 0.0 109.855 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 3.2 p . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.046 -1.034 . . . . 0.0 110.276 179.85 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 674' ' ' THR . . . . . . . . . . . . . 14.9 m . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 675' ' ' TYR . . . . . 0.546 ' HA ' ' HA ' ' A' ' 698' ' ' LEU . 14.3 m-85 -132.83 158.1 43.35 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.131 -0.981 . . . . 0.0 111.157 -179.399 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.42 114.72 11.66 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.478 -0.764 . . . . 0.0 109.948 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 677' ' ' CYS . . . . . 0.455 ' HB2' ' HB3' ' A' ' 666' ' ' GLN . 0.1 OUTLIER -65.34 136.57 56.71 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.266 -0.896 . . . . 0.0 110.288 -179.765 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.702 HD23 ' HG3' ' A' ' 679' ' ' GLN . 0.6 OUTLIER -109.21 -14.25 14.52 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.223 -0.923 . . . . 0.0 110.153 179.801 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 679' ' ' GLN . . . . . 0.702 ' HG3' HD23 ' A' ' 678' ' ' LEU . 4.2 mt-30 -143.09 143.42 24.75 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.293 -0.879 . . . . 0.0 110.299 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 680' ' ' PRO . . . . . 1.068 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.0 Cg_endo -62.14 107.54 0.57 Allowed 'Trans proline' 0 C--N 1.312 -1.38 0 O-C-N 123.696 1.366 . . . . 0.0 110.724 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 681' ' ' HIS . . . . . 0.51 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 25.7 m-70 -143.99 -161.46 1.28 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.341 -0.85 . . . . 0.0 110.064 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 24.4 m -132.81 124.74 28.58 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.193 -0.942 . . . . 0.0 110.505 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 69.2 p -75.83 143.91 41.59 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.366 -0.834 . . . . 0.0 110.14 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 684' ' ' LEU . . . . . 0.614 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.8 OUTLIER -146.44 176.44 9.8 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.211 -0.93 . . . . 0.0 110.649 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -63.83 74.15 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.312 -0.867 . . . . 0.0 110.244 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 686' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 173.65 -29.17 0.09 OUTLIER Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 25.8 m0 -85.65 31.54 0.6 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.201 -1.176 . . . . 0.0 110.37 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 688' ' ' GLU . . . . . 0.606 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 2.3 mt-10 -87.64 -47.8 0.47 Allowed Pre-proline 0 N--CA 1.495 1.791 0 O-C-N 121.137 -0.977 . . . . 0.0 110.372 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 689' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.7 Cg_endo -70.91 -3.44 12.78 Favored 'Trans proline' 0 C--N 1.313 -1.291 0 O-C-N 123.316 1.166 . . . . 0.0 110.058 179.534 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 690' ' ' SER . . . . . 0.468 ' O ' ' OG ' ' A' ' 690' ' ' SER . 3.8 p 62.14 57.13 2.09 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.512 -0.743 . . . . 0.0 110.139 -179.576 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 691' ' ' ASN . . . . . 0.452 ' C ' ' HD3' ' A' ' 693' ' ' PRO . 6.6 m-20 -79.41 -6.17 56.26 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.262 -0.899 . . . . 0.0 109.671 179.76 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 692' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 692' ' ' VAL . 27.3 m -122.26 70.81 33.43 Favored Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.37 -0.831 . . . . 0.0 110.177 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 693' ' ' PRO . . . . . 0.452 ' HD3' ' C ' ' A' ' 691' ' ' ASN . 3.1 Cg_exo -59.02 -19.76 50.11 Favored 'Trans proline' 0 C--N 1.31 -1.459 0 O-C-N 123.649 1.341 . . . . 0.0 110.616 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -52.17 -39.66 60.36 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.237 -0.914 . . . . 0.0 110.104 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 695' ' ' LEU . . . . . 1.047 ' O ' HD22 ' A' ' 695' ' ' LEU . 0.0 OUTLIER -115.17 -10.92 12.09 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.326 -0.859 . . . . 0.0 110.268 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 696' ' ' TRP . . . . . 1.027 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.6 OUTLIER -105.13 95.87 6.14 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.188 -0.945 . . . . 0.0 110.105 179.294 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -99.76 102.31 13.72 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.104 -0.998 . . . . 0.0 109.906 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 698' ' ' LEU . . . . . 0.765 HD12 ' N ' ' A' ' 699' ' ' GLN . 1.0 OUTLIER -97.15 -172.25 2.39 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.191 -0.943 . . . . 0.0 110.745 -179.642 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 699' ' ' GLN . . . . . 0.765 ' N ' HD12 ' A' ' 698' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.445 -0.784 . . . . 0.0 110.131 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 656' ' ' TRP . . . . . 0.547 ' CZ2' ' HA ' ' A' ' 658' ' ' VAL . 36.3 t90 . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.26 0.552 . . . . 0.0 110.111 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -118.24 108.9 15.7 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.195 -0.941 . . . . 0.0 110.251 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 658' ' ' VAL . . . . . 0.547 ' HA ' ' CZ2' ' A' ' 656' ' ' TRP . 2.2 p -53.76 147.93 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.142 -0.974 . . . . 0.0 110.061 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 659' ' ' ASN . . . . . 0.423 ' HA ' ' O ' ' A' ' 683' ' ' SER . 4.4 m-20 57.78 56.5 4.76 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.252 -0.905 . . . . 0.0 110.123 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 99.1 m -138.71 144.08 39.39 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.252 -0.905 . . . . 0.0 110.21 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -87.79 122.44 31.45 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.112 -0.993 . . . . 0.0 110.207 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 662' ' ' TYR . . . . . 0.516 ' O ' ' HA ' ' A' ' 680' ' ' PRO . 19.4 m-85 -114.79 157.49 23.17 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.134 -0.979 . . . . 0.0 110.326 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 663' ' ' THR . . . . . 0.428 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 16.3 p -100.7 -167.11 1.39 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.306 -0.871 . . . . 0.0 110.062 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 664' ' ' ALA . . . . . 0.868 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -90.11 108.34 19.67 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.223 -0.923 . . . . 0.0 110.084 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 110.9 30.62 3.16 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 666' ' ' GLN . . . . . 0.566 ' HB2' ' CB ' ' A' ' 677' ' ' CYS . 4.0 mm-40 -90.4 168.38 11.91 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.316 -1.108 . . . . 0.0 109.826 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -130.73 105.13 7.59 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.136 -0.978 . . . . 0.0 110.541 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 668' ' ' VAL . . . . . . . . . . . . . 2.3 m -113.65 173.04 3.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.351 -0.843 . . . . 0.0 109.67 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 18.3 p . . . . . 0 N--CA 1.494 1.728 0 O-C-N 121.026 -1.046 . . . . 0.0 110.777 179.948 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 674' ' ' THR . . . . . 0.584 ' O ' HD12 ' A' ' 698' ' ' LEU . 22.9 m . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.203 0.525 . . . . 0.0 109.642 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 675' ' ' TYR . . . . . 0.857 ' CZ ' HD13 ' A' ' 698' ' ' LEU . 39.9 m-85 -115.38 157.27 24.13 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.145 -0.972 . . . . 0.0 110.461 -179.59 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 676' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 697' ' ' GLN . 0.7 OUTLIER -124.54 92.7 3.71 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.305 -0.872 . . . . 0.0 109.909 179.797 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 677' ' ' CYS . . . . . 0.566 ' CB ' ' HB2' ' A' ' 666' ' ' GLN . 0.0 OUTLIER -47.99 143.46 4.26 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.145 -0.972 . . . . 0.0 109.87 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.456 ' O ' HD23 ' A' ' 678' ' ' LEU . 6.9 tt -127.91 -4.95 5.69 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.298 -0.876 . . . . 0.0 110.61 -179.326 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 679' ' ' GLN . . . . . 0.451 ' HB2' ' HB2' ' A' ' 695' ' ' LEU . 0.7 OUTLIER -140.55 140.05 21.7 Favored Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.055 -1.028 . . . . 0.0 110.34 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 680' ' ' PRO . . . . . 0.868 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 2.9 Cg_endo -63.38 94.22 0.17 Allowed 'Trans proline' 0 C--N 1.313 -1.341 0 O-C-N 123.513 1.27 . . . . 0.0 110.355 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 681' ' ' HIS . . . . . 0.442 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 0.4 OUTLIER -135.72 -174.01 3.53 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.163 -0.961 . . . . 0.0 110.29 -179.802 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 682' ' ' THR . . . . . 0.471 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 53.4 m -120.77 124.66 45.65 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.241 -0.912 . . . . 0.0 110.248 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 683' ' ' SER . . . . . 0.423 ' O ' ' HA ' ' A' ' 659' ' ' ASN . 1.1 t -84.84 147.82 26.61 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.294 -0.879 . . . . 0.0 109.952 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 684' ' ' LEU . . . . . 0.531 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.7 OUTLIER -152.65 -177.01 5.97 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.212 -0.93 . . . . 0.0 110.122 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -63.39 76.09 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.263 -0.898 . . . . 0.0 110.218 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 686' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 173.5 -35.62 0.12 Allowed Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 687' ' ' TRP . . . . . 0.471 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 44.5 m0 -89.82 40.24 0.99 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.295 -1.121 . . . . 0.0 109.785 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 688' ' ' GLU . . . . . 0.589 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.0 OUTLIER -88.93 -48.06 0.42 Allowed Pre-proline 0 N--CA 1.494 1.759 0 O-C-N 121.414 -0.804 . . . . 0.0 110.495 -179.689 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 689' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.7 Cg_endo -71.41 0.12 7.31 Favored 'Trans proline' 0 C--N 1.315 -1.216 0 O-C-N 123.211 1.111 . . . . 0.0 110.552 179.625 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 690' ' ' SER . . . . . 0.514 ' CB ' ' CE2' ' A' ' 675' ' ' TYR . 1.3 t 59.63 61.7 1.9 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.328 -0.857 . . . . 0.0 109.625 -179.391 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 691' ' ' ASN . . . . . 0.457 ' OD1' ' HB2' ' A' ' 689' ' ' PRO . 7.3 m-20 -85.36 5.14 32.06 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.223 -0.923 . . . . 0.0 110.441 -179.57 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 692' ' ' VAL . . . . . 0.464 HG23 ' CD1' ' A' ' 695' ' ' LEU . 12.3 m -129.51 85.42 58.85 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.046 -1.034 . . . . 0.0 110.608 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -61.21 -12.75 24.73 Favored 'Trans proline' 0 C--N 1.31 -1.457 0 O-C-N 123.692 1.364 . . . . 0.0 110.472 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -60.5 -36.43 78.32 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.331 -0.856 . . . . 0.0 110.373 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 695' ' ' LEU . . . . . 1.059 HD13 ' N ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -121.8 -11.83 8.53 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.186 -0.946 . . . . 0.0 110.298 -179.818 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 696' ' ' TRP . . . . . 1.059 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.9 OUTLIER -101.22 109.23 21.06 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.163 -0.96 . . . . 0.0 110.117 179.495 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 697' ' ' GLN . . . . . 0.428 ' O ' ' HB2' ' A' ' 676' ' ' LYS . 0.0 OUTLIER -102.02 73.4 1.38 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.112 -0.992 . . . . 0.0 109.977 179.737 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 698' ' ' LEU . . . . . 0.857 HD13 ' CZ ' ' A' ' 675' ' ' TYR . 43.7 tp -53.98 161.1 1.3 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.291 -0.881 . . . . 0.0 110.329 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 699' ' ' GLN . . . . . 0.525 ' N ' ' HG ' ' A' ' 698' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.599 0 O-C-N 121.305 -0.872 . . . . 0.0 110.275 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 656' ' ' TRP . . . . . 0.423 ' CZ3' ' HB ' ' A' ' 658' ' ' VAL . 86.2 t90 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.202 0.525 . . . . 0.0 110.094 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -122.76 123.23 40.59 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.268 -0.895 . . . . 0.0 110.243 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 658' ' ' VAL . . . . . 0.423 ' HB ' ' CZ3' ' A' ' 656' ' ' TRP . 7.7 p -68.23 156.32 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.346 -0.846 . . . . 0.0 110.242 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 58.68 49.57 10.04 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.24 -0.913 . . . . 0.0 110.015 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 27.9 m -139.68 132.73 29.54 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.274 -0.891 . . . . 0.0 110.364 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -78.34 119.37 21.59 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.267 -0.896 . . . . 0.0 110.149 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 662' ' ' TYR . . . . . 0.425 ' O ' ' HA ' ' A' ' 680' ' ' PRO . 14.7 m-85 -107.36 146.34 31.72 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.29 -0.881 . . . . 0.0 110.146 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 1.4 p -100.9 163.52 12.26 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.204 -0.935 . . . . 0.0 110.262 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 664' ' ' ALA . . . . . 0.98 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -58.93 119.73 7.76 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.309 -0.87 . . . . 0.0 110.412 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 665' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 100.58 29.33 6.66 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 666' ' ' GLN . . . . . 0.52 ' HB2' ' HB3' ' A' ' 677' ' ' CYS . 1.3 tm0? -90.23 -178.12 5.31 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.151 -1.205 . . . . 0.0 110.335 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.79 116.78 9.92 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.343 -0.848 . . . . 0.0 110.401 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 668' ' ' VAL . . . . . 0.502 ' CG2' ' HB2' ' A' ' 675' ' ' TYR . 2.4 m -129.8 156.27 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.117 -0.989 . . . . 0.0 109.903 179.713 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 669' ' ' THR . . . . . 0.427 HG22 ' HA ' ' A' ' 674' ' ' THR . 23.4 p . . . . . 0 N--CA 1.492 1.651 0 O-C-N 121.064 -1.023 . . . . 0.0 110.088 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 674' ' ' THR . . . . . 0.507 ' HB ' ' HG3' ' A' ' 699' ' ' GLN . 1.7 m . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 121.229 0.538 . . . . 0.0 109.835 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 675' ' ' TYR . . . . . 0.638 ' CE1' ' HB3' ' A' ' 698' ' ' LEU . 36.1 m-85 -131.81 159.7 37.77 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.25 -0.906 . . . . 0.0 110.64 -179.584 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 676' ' ' LYS . . . . . 0.476 ' HG2' ' HB3' ' A' ' 697' ' ' GLN . 0.0 OUTLIER -140.15 129.85 24.42 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.351 -0.843 . . . . 0.0 109.528 179.291 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 677' ' ' CYS . . . . . 0.52 ' HB3' ' HB2' ' A' ' 666' ' ' GLN . 0.5 OUTLIER -75.93 138.16 40.82 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.311 -0.868 . . . . 0.0 110.25 -179.692 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.502 HD12 ' HB2' ' A' ' 697' ' ' GLN . 0.1 OUTLIER -116.25 -7.82 11.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.299 -0.875 . . . . 0.0 110.564 -179.775 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 679' ' ' GLN . . . . . 0.528 ' HB3' ' CE1' ' A' ' 681' ' ' HIS . 0.2 OUTLIER -146.78 141.16 15.8 Favored Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.1 -1.0 . . . . 0.0 110.439 -179.892 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 680' ' ' PRO . . . . . 0.98 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.1 Cg_exo -61.76 95.46 0.13 Allowed 'Trans proline' 0 C--N 1.314 -1.252 0 O-C-N 123.496 1.261 . . . . 0.0 110.664 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 681' ' ' HIS . . . . . 0.528 ' CE1' ' HB3' ' A' ' 679' ' ' GLN . 20.1 m80 -131.09 -166.16 1.66 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.267 -0.895 . . . . 0.0 110.167 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 682' ' ' THR . . . . . 0.58 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 53.8 m -123.73 122.83 39.1 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.237 -0.914 . . . . 0.0 110.547 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 48.2 p -86.85 137.79 32.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.276 -0.89 . . . . 0.0 109.925 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 684' ' ' LEU . . . . . 0.584 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.6 OUTLIER -146.94 -177.53 5.71 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.218 -0.926 . . . . 0.0 110.611 -179.862 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -62.56 74.06 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.335 -0.853 . . . . 0.0 110.071 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 686' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 176.38 -37.81 0.1 OUTLIER Glycine 0 N--CA 1.489 2.171 0 N-CA-C 109.418 -1.473 . . . . 0.0 109.418 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 687' ' ' TRP . . . . . 0.58 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 40.0 m0 -89.07 38.91 0.91 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.149 -1.207 . . . . 0.0 110.253 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 688' ' ' GLU . . . . . 0.603 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.7 mt-10 -88.11 -48.53 0.44 Allowed Pre-proline 0 N--CA 1.494 1.766 0 O-C-N 121.268 -0.895 . . . . 0.0 110.41 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 689' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.5 Cg_endo -71.1 -2.51 11.23 Favored 'Trans proline' 0 C--N 1.314 -1.238 0 O-C-N 123.346 1.182 . . . . 0.0 110.346 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 690' ' ' SER . . . . . 0.528 ' CB ' ' CE1' ' A' ' 675' ' ' TYR . 1.7 p 64.37 62.87 0.79 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.308 -0.87 . . . . 0.0 109.861 -179.593 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -85.17 6.94 23.67 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.141 -0.974 . . . . 0.0 110.811 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 692' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 692' ' ' VAL . 25.7 m -137.46 84.41 23.41 Favored Pre-proline 0 N--CA 1.493 1.688 0 O-C-N 120.984 -1.072 . . . . 0.0 110.552 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -60.51 -15.58 37.07 Favored 'Trans proline' 0 C--N 1.312 -1.38 0 O-C-N 123.68 1.358 . . . . 0.0 110.545 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -49.58 -37.81 28.9 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.187 -0.946 . . . . 0.0 109.958 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 695' ' ' LEU . . . . . 0.809 HD12 ' N ' ' A' ' 696' ' ' TRP . 1.1 pp -129.92 -1.34 4.71 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.241 -0.912 . . . . 0.0 110.015 179.665 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 696' ' ' TRP . . . . . 0.809 ' N ' HD12 ' A' ' 695' ' ' LEU . 0.7 OUTLIER -111.36 92.39 4.02 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.232 -0.917 . . . . 0.0 109.786 179.574 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 697' ' ' GLN . . . . . 0.502 ' HB2' HD12 ' A' ' 678' ' ' LEU . 16.4 tt0 -99.22 108.23 20.75 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.189 -0.944 . . . . 0.0 109.784 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 698' ' ' LEU . . . . . 0.985 HD12 ' N ' ' A' ' 699' ' ' GLN . 0.9 OUTLIER -96.39 -174.27 3.01 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.356 -0.84 . . . . 0.0 110.762 -179.409 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 699' ' ' GLN . . . . . 0.985 ' N ' HD12 ' A' ' 698' ' ' LEU . 2.7 pt20 . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.49 -0.756 . . . . 0.0 110.161 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 656' ' ' TRP . . . . . 0.457 ' CH2' ' HB ' ' A' ' 658' ' ' VAL . 66.9 t90 . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 121.219 0.533 . . . . 0.0 110.332 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -135.8 139.65 43.64 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.273 -0.892 . . . . 0.0 110.12 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 658' ' ' VAL . . . . . 0.47 HG12 ' H ' ' A' ' 658' ' ' VAL . 3.6 p -79.2 148.97 5.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.275 -0.89 . . . . 0.0 110.432 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 39.5 t30 60.07 43.04 14.86 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.38 -0.825 . . . . 0.0 109.767 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 92.6 m -125.42 149.28 48.34 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.426 -0.797 . . . . 0.0 110.102 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -101.37 113.67 26.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.255 -0.903 . . . . 0.0 110.206 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -101.89 157.61 16.73 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.351 -0.843 . . . . 0.0 110.018 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 1.5 p -99.52 178.88 4.73 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.269 -0.895 . . . . 0.0 110.07 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 664' ' ' ALA . . . . . 0.992 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -73.57 124.09 25.23 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.202 -0.936 . . . . 0.0 110.127 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 665' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 92.15 27.78 15.09 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.389 -1.485 . . . . 0.0 109.389 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 666' ' ' GLN . . . . . 0.424 ' O ' ' HA ' ' A' ' 676' ' ' LYS . 1.0 OUTLIER -88.13 177.55 6.87 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.233 -1.157 . . . . 0.0 110.217 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 667' ' ' LEU . . . . . 0.822 HD23 ' N ' ' A' ' 668' ' ' VAL . 2.2 tt -136.56 128.64 29.6 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.229 -0.92 . . . . 0.0 110.454 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 668' ' ' VAL . . . . . 0.822 ' N ' HD23 ' A' ' 667' ' ' LEU . 2.9 m -133.39 164.87 33.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.391 -0.818 . . . . 0.0 109.772 179.701 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 669' ' ' THR . . . . . 0.614 HG22 HG23 ' A' ' 674' ' ' THR . 69.4 p . . . . . 0 N--CA 1.491 1.603 0 O-C-N 120.993 -1.067 . . . . 0.0 110.545 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 674' ' ' THR . . . . . 0.614 HG23 HG22 ' A' ' 669' ' ' THR . 2.6 m . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 121.363 0.601 . . . . 0.0 110.605 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 675' ' ' TYR . . . . . 0.952 ' CE2' HD13 ' A' ' 698' ' ' LEU . 87.9 m-85 -122.22 166.55 14.44 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.363 -0.836 . . . . 0.0 110.127 179.612 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 676' ' ' LYS . . . . . 0.492 ' HB2' ' O ' ' A' ' 697' ' ' GLN . 0.7 OUTLIER -129.55 101.18 5.82 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.146 -0.971 . . . . 0.0 110.58 -179.741 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 677' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 665' ' ' GLY . 0.0 OUTLIER -50.15 141.19 11.61 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.315 -0.865 . . . . 0.0 110.059 179.81 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.434 ' O ' HD23 ' A' ' 678' ' ' LEU . 3.3 tt -118.7 -15.74 9.45 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.386 -0.821 . . . . 0.0 110.296 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 679' ' ' GLN . . . . . 0.402 ' HA ' ' HD3' ' A' ' 680' ' ' PRO . 6.3 mt-30 -136.12 140.46 33.08 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.145 -0.972 . . . . 0.0 110.194 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 680' ' ' PRO . . . . . 0.992 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 2.9 Cg_endo -62.5 98.62 0.19 Allowed 'Trans proline' 0 C--N 1.312 -1.348 0 O-C-N 123.522 1.275 . . . . 0.0 110.475 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 681' ' ' HIS . . . . . 0.515 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 4.9 m-70 -137.74 -166.03 1.88 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.239 -0.913 . . . . 0.0 110.072 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 8.2 m -128.03 123.79 35.55 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.247 -0.908 . . . . 0.0 109.847 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 683' ' ' SER . . . . . 0.456 ' C ' HD13 ' A' ' 684' ' ' LEU . 0.3 OUTLIER -87.82 137.94 31.89 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.282 -0.886 . . . . 0.0 109.98 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 684' ' ' LEU . . . . . 0.887 HD13 ' N ' ' A' ' 684' ' ' LEU . 0.0 OUTLIER -141.45 -166.38 2.18 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.302 -0.874 . . . . 0.0 110.592 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -61.65 82.53 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.202 -0.936 . . . . 0.0 110.12 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 686' ' ' GLY . . . . . 0.523 ' O ' ' HD2' ' A' ' 689' ' ' PRO . . . 158.44 -36.32 0.52 Allowed Glycine 0 N--CA 1.489 2.187 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 687' ' ' TRP . . . . . 0.47 ' CZ3' ' HB3' ' A' ' 681' ' ' HIS . 1.8 m0 -84.85 26.96 0.78 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.155 -1.203 . . . . 0.0 110.667 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 688' ' ' GLU . . . . . 0.608 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 5.6 mt-10 -90.88 -45.1 0.38 Allowed Pre-proline 0 N--CA 1.498 1.949 0 O-C-N 121.046 -1.034 . . . . 0.0 111.869 -179.266 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 689' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.6 Cg_endo -68.15 -3.23 10.34 Favored 'Trans proline' 0 C--N 1.315 -1.209 0 O-C-N 122.985 0.992 . . . . 0.0 110.939 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 690' ' ' SER . . . . . 0.449 ' O ' ' OG ' ' A' ' 690' ' ' SER . 1.3 p 65.64 47.37 2.19 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.127 -0.983 . . . . 0.0 109.635 -179.428 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 691' ' ' ASN . . . . . 0.61 ' OD1' HG13 ' A' ' 692' ' ' VAL . 11.1 p30 -83.2 16.25 2.52 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.242 -0.911 . . . . 0.0 110.57 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 692' ' ' VAL . . . . . 0.61 HG13 ' OD1' ' A' ' 691' ' ' ASN . 14.4 m -138.76 76.13 35.46 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.081 -1.012 . . . . 0.0 110.089 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -59.65 -15.92 33.96 Favored 'Trans proline' 0 C--N 1.311 -1.406 0 O-C-N 123.696 1.366 . . . . 0.0 110.505 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -60.69 -42.61 97.48 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.309 -0.869 . . . . 0.0 109.955 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 695' ' ' LEU . . . . . 1.086 HD13 ' N ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -108.69 -13.99 14.7 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.185 -0.947 . . . . 0.0 109.874 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 696' ' ' TRP . . . . . 1.086 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.2 OUTLIER -99.49 127.03 45.53 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.323 -0.861 . . . . 0.0 110.187 179.915 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 697' ' ' GLN . . . . . 0.492 ' O ' ' HB2' ' A' ' 676' ' ' LYS . 6.1 tp-100 -108.77 72.01 0.8 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.254 -0.904 . . . . 0.0 109.602 179.555 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 698' ' ' LEU . . . . . 0.952 HD13 ' CE2' ' A' ' 675' ' ' TYR . 22.4 tp -54.27 156.82 2.98 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.283 -0.886 . . . . 0.0 110.819 -179.371 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 699' ' ' GLN . . . . . 0.51 ' NE2' ' HB ' ' A' ' 674' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.415 -0.803 . . . . 0.0 110.196 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 656' ' ' TRP . . . . . 0.548 ' CH2' ' HB ' ' A' ' 658' ' ' VAL . 78.4 t90 . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 121.367 0.603 . . . . 0.0 110.369 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 657' ' ' GLN . . . . . 0.418 ' N ' ' CG ' ' A' ' 656' ' ' TRP . 37.5 mt-30 -143.94 134.44 24.76 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.325 -0.86 . . . . 0.0 109.896 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 658' ' ' VAL . . . . . 0.548 ' HB ' ' CH2' ' A' ' 656' ' ' TRP . 3.4 p -77.71 148.2 6.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.261 -0.899 . . . . 0.0 110.763 -179.479 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 659' ' ' ASN . . . . . 0.437 ' CB ' ' O ' ' A' ' 658' ' ' VAL . 4.1 t-20 65.71 51.86 1.38 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.438 -0.789 . . . . 0.0 110.374 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 660' ' ' THR . . . . . 0.561 HG22 ' N ' ' A' ' 661' ' ' ALA . 31.0 m -137.73 169.66 17.4 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.308 -0.87 . . . . 0.0 110.1 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 661' ' ' ALA . . . . . 0.561 ' N ' HG22 ' A' ' 660' ' ' THR . . . -115.16 117.7 31.26 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.297 -0.877 . . . . 0.0 110.478 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -109.93 156.32 20.59 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.163 -0.961 . . . . 0.0 110.179 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.52 170.93 7.65 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.271 -0.893 . . . . 0.0 110.025 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 664' ' ' ALA . . . . . 1.035 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -68.73 103.99 1.89 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.239 -0.913 . . . . 0.0 110.107 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 119.56 28.44 1.93 Allowed Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 666' ' ' GLN . . . . . 0.456 ' O ' ' HA ' ' A' ' 676' ' ' LYS . 0.0 OUTLIER -88.98 170.41 10.69 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.224 -1.162 . . . . 0.0 109.988 179.855 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.22 92.82 2.83 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.165 -0.959 . . . . 0.0 110.398 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 668' ' ' VAL . . . . . 0.433 HG12 ' NE2' ' A' ' 666' ' ' GLN . 2.1 m -100.59 172.75 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.347 -0.846 . . . . 0.0 110.055 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.204 -0.935 . . . . 0.0 109.959 179.249 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 674' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 121.156 0.503 . . . . 0.0 109.703 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 675' ' ' TYR . . . . . 0.641 ' CD2' ' HB3' ' A' ' 698' ' ' LEU . 17.6 m-85 -133.27 157.67 44.86 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.223 -0.923 . . . . 0.0 110.676 -179.527 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 676' ' ' LYS . . . . . 0.477 ' HE2' HD12 ' A' ' 678' ' ' LEU . 0.1 OUTLIER -140.56 120.44 13.54 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.329 -0.857 . . . . 0.0 109.904 179.816 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 677' ' ' CYS . . . . . 0.416 ' HB3' ' HB2' ' A' ' 666' ' ' GLN . 0.5 OUTLIER -67.64 142.79 56.29 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.152 -0.968 . . . . 0.0 110.287 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.477 HD12 ' HE2' ' A' ' 676' ' ' LYS . 1.5 tt -120.42 -6.21 9.81 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.242 -0.911 . . . . 0.0 110.114 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 679' ' ' GLN . . . . . 0.511 ' HB3' ' NE2' ' A' ' 681' ' ' HIS . 30.5 mt-30 -140.5 139.45 20.45 Favored Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.261 -0.9 . . . . 0.0 110.098 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 680' ' ' PRO . . . . . 1.035 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.0 Cg_exo -62.99 96.07 0.17 Allowed 'Trans proline' 0 C--N 1.314 -1.256 0 O-C-N 123.486 1.256 . . . . 0.0 110.326 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 681' ' ' HIS . . . . . 0.514 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 17.0 m-70 -138.78 -164.59 1.67 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.211 -0.93 . . . . 0.0 110.308 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 8.2 m -127.84 122.71 33.3 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.307 -0.871 . . . . 0.0 110.089 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.06 142.92 43.68 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.214 -0.929 . . . . 0.0 110.229 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 684' ' ' LEU . . . . . 0.618 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.8 OUTLIER -146.52 178.41 8.31 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.29 -0.881 . . . . 0.0 110.618 -179.906 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -64.51 70.67 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.332 -0.855 . . . . 0.0 110.171 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 686' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . -179.22 -32.93 0.06 OUTLIER Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 32.0 m0 -88.86 38.64 0.89 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.237 -1.155 . . . . 0.0 110.213 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 688' ' ' GLU . . . . . 0.582 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.6 mt-10 -90.01 -48.29 0.38 Allowed Pre-proline 0 N--CA 1.497 1.877 0 O-C-N 121.269 -0.894 . . . . 0.0 110.88 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 689' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.8 Cg_endo -69.1 -5.3 15.46 Favored 'Trans proline' 0 C--N 1.314 -1.253 0 O-C-N 123.281 1.148 . . . . 0.0 110.237 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 690' ' ' SER . . . . . 0.45 ' O ' ' OG ' ' A' ' 690' ' ' SER . 1.7 p 62.67 52.8 2.72 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.441 -0.787 . . . . 0.0 110.134 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 691' ' ' ASN . . . . . 0.737 ' OD1' HG13 ' A' ' 692' ' ' VAL . 26.3 p30 -82.29 16.29 2.09 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.191 -0.943 . . . . 0.0 110.482 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 692' ' ' VAL . . . . . 0.737 HG13 ' OD1' ' A' ' 691' ' ' ASN . 3.4 m -137.22 75.81 45.78 Favored Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.173 -0.954 . . . . 0.0 109.688 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -59.98 -14.01 25.92 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 O-C-N 123.725 1.382 . . . . 0.0 110.772 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 694' ' ' ALA . . . . . 0.433 ' O ' ' OE1' ' A' ' 679' ' ' GLN . . . -67.37 -39.13 85.66 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.247 -0.908 . . . . 0.0 110.408 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 695' ' ' LEU . . . . . 1.108 HD13 ' N ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -114.99 -14.04 11.87 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.171 -0.956 . . . . 0.0 110.378 -179.835 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 696' ' ' TRP . . . . . 1.108 ' N ' HD13 ' A' ' 695' ' ' LEU . 1.6 m95 -111.46 93.84 4.67 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.074 -1.016 . . . . 0.0 110.148 179.659 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 697' ' ' GLN . . . . . 0.453 ' O ' ' HB3' ' A' ' 676' ' ' LYS . 22.4 tt0 -99.65 111.66 23.98 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.181 -0.95 . . . . 0.0 109.611 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 698' ' ' LEU . . . . . 0.641 ' HB3' ' CD2' ' A' ' 675' ' ' TYR . 0.5 OUTLIER -99.84 -167.74 1.5 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.194 -0.941 . . . . 0.0 110.88 -179.211 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 699' ' ' GLN . . . . . 0.541 ' N ' HD12 ' A' ' 698' ' ' LEU . 12.4 pt20 . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.35 -0.844 . . . . 0.0 110.258 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 656' ' ' TRP . . . . . 0.487 ' O ' ' CG ' ' A' ' 657' ' ' GLN . 89.2 t90 . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 121.399 0.619 . . . . 0.0 110.579 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 657' ' ' GLN . . . . . 0.487 ' CG ' ' O ' ' A' ' 656' ' ' TRP . 32.3 mt-30 -156.7 146.7 21.05 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.409 -0.807 . . . . 0.0 109.858 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 658' ' ' VAL . . . . . 0.478 ' O ' ' HB3' ' A' ' 659' ' ' ASN . 4.9 p -86.75 149.01 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.203 -0.936 . . . . 0.0 110.439 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 659' ' ' ASN . . . . . 0.478 ' HB3' ' O ' ' A' ' 658' ' ' VAL . 28.9 t30 64.49 50.57 2.18 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.465 -0.772 . . . . 0.0 110.241 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 660' ' ' THR . . . . . 0.465 ' O ' HG23 ' A' ' 682' ' ' THR . 6.3 m -134.79 172.27 13.2 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.248 -0.908 . . . . 0.0 110.148 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 661' ' ' ALA . . . . . 0.411 ' H ' HG22 ' A' ' 660' ' ' THR . . . -113.57 109.49 18.71 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.229 -0.919 . . . . 0.0 110.06 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -102.53 155.13 18.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.186 -0.946 . . . . 0.0 110.41 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 663' ' ' THR . . . . . 0.445 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 13.9 p -103.07 -166.98 1.33 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.27 -0.894 . . . . 0.0 109.933 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 664' ' ' ALA . . . . . 0.938 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -86.87 148.9 25.17 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.156 -0.965 . . . . 0.0 110.139 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 665' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 63.96 29.45 74.88 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.621 -1.391 . . . . 0.0 109.621 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 666' ' ' GLN . . . . . 0.456 ' HB2' ' HB3' ' A' ' 677' ' ' CYS . 0.0 OUTLIER -86.91 171.86 10.49 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.218 -1.166 . . . . 0.0 110.099 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.63 125.91 39.12 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.219 -0.926 . . . . 0.0 110.303 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 668' ' ' VAL . . . . . 0.568 ' CG2' ' HB2' ' A' ' 675' ' ' TYR . 3.0 m -135.69 160.91 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.345 -0.847 . . . . 0.0 110.0 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 34.8 p . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.246 -0.909 . . . . 0.0 110.113 179.813 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 674' ' ' THR . . . . . 0.427 ' HB ' ' HG3' ' A' ' 699' ' ' GLN . 1.9 m . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 121.208 0.528 . . . . 0.0 109.993 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 675' ' ' TYR . . . . . 0.571 ' CE1' ' CB ' ' A' ' 698' ' ' LEU . 28.4 m-85 -133.53 155.2 50.02 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.174 -0.954 . . . . 0.0 110.603 -179.701 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.87 113.81 10.5 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.367 -0.833 . . . . 0.0 110.099 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 677' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 665' ' ' GLY . 4.8 t -69.05 141.96 54.66 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.289 -0.882 . . . . 0.0 110.1 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.487 HD13 ' HB2' ' A' ' 697' ' ' GLN . 2.1 mp -113.78 -20.0 11.3 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.242 -0.911 . . . . 0.0 110.256 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 679' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 678' ' ' LEU . 91.2 mm-40 -136.06 145.99 54.7 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.342 -0.849 . . . . 0.0 110.275 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 680' ' ' PRO . . . . . 0.938 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 2.9 Cg_endo -62.12 106.3 0.46 Allowed 'Trans proline' 0 C--N 1.311 -1.402 0 O-C-N 123.639 1.337 . . . . 0.0 110.496 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 681' ' ' HIS . . . . . 0.509 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 22.2 m-70 -142.49 174.31 10.74 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.185 -0.947 . . . . 0.0 110.215 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 682' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 660' ' ' THR . 94.9 m -111.36 121.7 45.92 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.223 -0.923 . . . . 0.0 110.419 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.57 148.58 36.95 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.226 -0.921 . . . . 0.0 109.896 179.753 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 684' ' ' LEU . . . . . 0.673 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.9 OUTLIER -149.91 -179.39 7.1 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.081 -1.012 . . . . 0.0 110.605 -179.822 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -63.95 78.03 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.315 -0.866 . . . . 0.0 110.08 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 686' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 169.39 -35.17 0.18 Allowed Glycine 0 N--CA 1.49 2.233 0 N-CA-C 109.376 -1.49 . . . . 0.0 109.376 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 30.7 m0 -87.22 33.34 0.68 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.234 -1.157 . . . . 0.0 110.105 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 688' ' ' GLU . . . . . 0.597 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.8 mt-10 -87.35 -48.65 0.47 Allowed Pre-proline 0 N--CA 1.495 1.795 0 O-C-N 121.304 -0.873 . . . . 0.0 110.038 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 689' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.6 Cg_endo -70.71 -3.98 13.73 Favored 'Trans proline' 0 C--N 1.314 -1.266 0 O-C-N 123.389 1.205 . . . . 0.0 110.075 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 690' ' ' SER . . . . . 0.5 ' O ' ' OG ' ' A' ' 690' ' ' SER . 1.7 p 67.06 67.57 0.41 Allowed 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 121.733 0.778 . . . . 0.0 109.967 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -90.14 -1.1 57.9 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.165 -0.959 . . . . 0.0 110.92 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 692' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 692' ' ' VAL . 25.4 m -126.03 83.68 62.74 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.003 -1.061 . . . . 0.0 110.61 -179.682 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -60.98 -12.35 22.19 Favored 'Trans proline' 0 C--N 1.31 -1.46 0 O-C-N 123.54 1.284 . . . . 0.0 110.487 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -58.38 -37.69 75.77 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.338 -0.851 . . . . 0.0 110.386 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 695' ' ' LEU . . . . . 1.086 HD13 ' N ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -123.45 -12.66 7.72 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.169 -0.957 . . . . 0.0 110.362 -179.747 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 696' ' ' TRP . . . . . 1.086 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.6 OUTLIER -100.36 103.67 15.07 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.101 -0.999 . . . . 0.0 110.2 179.752 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 697' ' ' GLN . . . . . 0.487 ' HB2' HD13 ' A' ' 678' ' ' LEU . 14.2 tp60 -100.29 91.96 4.97 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.279 -0.888 . . . . 0.0 110.037 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 698' ' ' LEU . . . . . 0.922 HD12 ' N ' ' A' ' 699' ' ' GLN . 0.3 OUTLIER -90.65 165.68 13.58 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.237 -0.914 . . . . 0.0 110.415 -179.682 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 699' ' ' GLN . . . . . 0.922 ' N ' HD12 ' A' ' 698' ' ' LEU . 1.4 pp0? . . . . . 0 N--CA 1.491 1.62 0 O-C-N 121.369 -0.832 . . . . 0.0 110.189 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 656' ' ' TRP . . . . . 0.572 ' CH2' HG12 ' A' ' 658' ' ' VAL . 66.9 t90 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.233 0.539 . . . . 0.0 110.386 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -123.83 164.63 18.82 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.319 -0.863 . . . . 0.0 110.007 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 658' ' ' VAL . . . . . 0.572 HG12 ' CH2' ' A' ' 656' ' ' TRP . 15.3 m -89.2 154.78 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.275 -0.891 . . . . 0.0 110.171 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 659' ' ' ASN . . . . . 0.416 ' CB ' ' O ' ' A' ' 658' ' ' VAL . 10.5 t-20 63.5 50.01 2.96 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.238 -0.914 . . . . 0.0 109.994 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 660' ' ' THR . . . . . 0.701 ' O ' HG23 ' A' ' 682' ' ' THR . 91.7 m -135.79 161.4 35.7 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.249 -0.907 . . . . 0.0 110.319 -179.723 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -109.69 127.89 54.89 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.233 -0.917 . . . . 0.0 110.102 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 662' ' ' TYR . . . . . 0.442 ' HD2' ' HG ' ' A' ' 683' ' ' SER . 15.5 m-85 -118.59 157.07 28.06 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.205 -0.934 . . . . 0.0 110.342 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.41 167.97 9.4 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.177 -0.952 . . . . 0.0 109.949 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 664' ' ' ALA . . . . . 1.025 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -66.94 121.91 16.57 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.199 -0.938 . . . . 0.0 110.26 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 96.18 25.45 12.63 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 666' ' ' GLN . . . . . 0.456 ' HA ' ' OE1' ' A' ' 666' ' ' GLN . 0.0 OUTLIER -83.5 172.31 12.52 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.144 -1.21 . . . . 0.0 110.282 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 667' ' ' LEU . . . . . 0.723 HD23 ' HB2' ' A' ' 676' ' ' LYS . 26.8 mt -137.6 95.99 3.16 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.289 -0.882 . . . . 0.0 110.179 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 668' ' ' VAL . . . . . 0.438 HG21 ' HD1' ' A' ' 656' ' ' TRP . 2.6 m -105.68 176.55 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.419 -0.8 . . . . 0.0 109.988 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 74.7 p . . . . . 0 N--CA 1.492 1.627 0 O-C-N 121.271 -0.893 . . . . 0.0 110.111 179.593 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 674' ' ' THR . . . . . 0.42 ' O ' ' HB2' ' A' ' 698' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 675' ' ' TYR . . . . . 0.619 ' CD2' ' HB3' ' A' ' 698' ' ' LEU . 14.8 m-85 -131.86 159.5 38.39 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.18 -0.95 . . . . 0.0 111.096 -179.16 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 676' ' ' LYS . . . . . 0.723 ' HB2' HD23 ' A' ' 667' ' ' LEU . 0.0 OUTLIER -140.48 118.96 12.22 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.415 -0.803 . . . . 0.0 109.668 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.13 148.67 49.61 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.25 -0.906 . . . . 0.0 110.575 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 678' ' ' LEU . 1.2 tt -121.1 -13.03 8.62 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.33 -0.856 . . . . 0.0 110.511 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 679' ' ' GLN . . . . . 0.516 ' HB3' ' CD2' ' A' ' 681' ' ' HIS . 0.0 OUTLIER -136.76 145.12 49.68 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.105 -0.997 . . . . 0.0 110.316 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 680' ' ' PRO . . . . . 1.025 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.1 Cg_exo -62.14 111.63 1.31 Allowed 'Trans proline' 0 C--N 1.312 -1.359 0 O-C-N 123.651 1.343 . . . . 0.0 110.801 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 681' ' ' HIS . . . . . 0.542 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 35.1 m-70 -156.01 -160.95 1.07 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.272 -0.893 . . . . 0.0 110.079 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 682' ' ' THR . . . . . 0.701 HG23 ' O ' ' A' ' 660' ' ' THR . 5.8 m -136.9 134.2 36.56 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.042 -1.036 . . . . 0.0 110.617 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 683' ' ' SER . . . . . 0.442 ' HG ' ' HD2' ' A' ' 662' ' ' TYR . 55.6 m -80.76 149.12 29.77 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.306 -0.871 . . . . 0.0 109.796 179.516 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 684' ' ' LEU . . . . . 0.635 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.6 OUTLIER -154.36 -177.53 6.52 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.336 -0.852 . . . . 0.0 110.396 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -64.65 77.25 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.284 -0.885 . . . . 0.0 110.334 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 686' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 169.12 -31.92 0.17 Allowed Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.844 -1.302 . . . . 0.0 109.844 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 687' ' ' TRP . . . . . 0.552 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 35.0 m0 -86.43 32.52 0.64 Allowed 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.065 -1.256 . . . . 0.0 110.42 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 688' ' ' GLU . . . . . 0.599 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.1 mt-10 -89.12 -48.08 0.41 Allowed Pre-proline 0 N--CA 1.495 1.815 0 O-C-N 121.138 -0.976 . . . . 0.0 110.663 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 689' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.5 Cg_endo -70.35 -0.73 7.84 Favored 'Trans proline' 0 C--N 1.314 -1.256 0 O-C-N 123.279 1.147 . . . . 0.0 110.779 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 690' ' ' SER . . . . . 0.455 ' O ' ' OG ' ' A' ' 690' ' ' SER . 3.9 p 60.12 53.53 4.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.227 -0.921 . . . . 0.0 110.024 -179.454 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 691' ' ' ASN . . . . . 0.439 ' OD1' HG13 ' A' ' 692' ' ' VAL . 9.6 p30 -84.89 17.11 2.98 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.269 -0.894 . . . . 0.0 110.382 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 692' ' ' VAL . . . . . 0.439 HG13 ' OD1' ' A' ' 691' ' ' ASN . 3.4 m -136.99 78.33 41.27 Favored Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.268 -0.895 . . . . 0.0 109.822 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -62.6 -9.45 15.97 Favored 'Trans proline' 0 C--N 1.311 -1.411 0 O-C-N 123.713 1.375 . . . . 0.0 110.781 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -74.47 -29.18 61.35 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.158 -0.964 . . . . 0.0 110.795 -179.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 695' ' ' LEU . . . . . 1.087 HD13 ' N ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -124.98 -12.7 6.97 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.968 -1.082 . . . . 0.0 110.921 -179.485 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 696' ' ' TRP . . . . . 1.087 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.8 OUTLIER -111.25 93.12 4.32 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.972 -1.08 . . . . 0.0 110.173 179.775 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 697' ' ' GLN . . . . . 0.469 ' HG2' ' HD2' ' A' ' 676' ' ' LYS . 1.8 tt0 -99.57 109.36 21.88 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.294 -0.879 . . . . 0.0 109.222 179.503 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 698' ' ' LEU . . . . . 0.707 HD12 ' N ' ' A' ' 699' ' ' GLN . 0.7 OUTLIER -96.02 -167.27 1.56 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.097 -1.002 . . . . 0.0 111.051 -179.216 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 699' ' ' GLN . . . . . 0.707 ' N ' HD12 ' A' ' 698' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.475 -0.766 . . . . 0.0 110.28 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 656' ' ' TRP . . . . . 0.537 ' CZ3' HG22 ' A' ' 658' ' ' VAL . 50.0 t90 . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.316 0.579 . . . . 0.0 110.219 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -120.7 137.36 54.52 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.329 -0.857 . . . . 0.0 110.049 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 658' ' ' VAL . . . . . 0.537 HG22 ' CZ3' ' A' ' 656' ' ' TRP . 3.7 t -76.16 144.67 11.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.219 -0.926 . . . . 0.0 110.116 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 659' ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' ' 658' ' ' VAL . 1.4 t-20 65.69 55.75 0.97 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.248 -0.907 . . . . 0.0 110.305 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 91.2 m -140.09 138.63 35.48 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.212 -0.93 . . . . 0.0 110.233 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -83.08 113.49 20.65 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.238 -0.913 . . . . 0.0 110.111 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 662' ' ' TYR . . . . . 0.525 ' O ' ' HA ' ' A' ' 680' ' ' PRO . 46.3 m-85 -102.46 152.42 21.14 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.216 -0.928 . . . . 0.0 110.38 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 663' ' ' THR . . . . . 0.436 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 23.3 p -99.87 162.91 12.7 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.376 -0.828 . . . . 0.0 110.243 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 664' ' ' ALA . . . . . 0.966 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -57.5 133.93 55.65 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.274 -0.891 . . . . 0.0 110.16 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 665' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 81.75 29.32 39.4 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 666' ' ' GLN . . . . . 0.55 ' CB ' ' HB2' ' A' ' 677' ' ' CYS . 1.0 OUTLIER -85.35 164.37 18.0 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.271 -1.135 . . . . 0.0 110.067 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 667' ' ' LEU . . . . . 0.666 HD13 ' C ' ' A' ' 667' ' ' LEU . 1.7 tm? -127.5 106.74 9.39 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.319 -0.863 . . . . 0.0 110.32 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 668' ' ' VAL . . . . . 0.528 ' CG2' ' HB2' ' A' ' 675' ' ' TYR . 2.9 m -118.11 167.24 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.153 -0.967 . . . . 0.0 109.952 179.682 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 60.7 p . . . . . 0 N--CA 1.489 1.517 0 O-C-N 121.185 -0.947 . . . . 0.0 110.365 179.758 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 674' ' ' THR . . . . . 0.742 ' O ' HD12 ' A' ' 698' ' ' LEU . 85.0 m . . . . . 0 N--CA 1.492 1.651 0 N-CA-C 109.649 -0.501 . . . . 0.0 109.649 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 675' ' ' TYR . . . . . 0.903 ' CE1' HD13 ' A' ' 698' ' ' LEU . 27.6 m-85 -114.82 168.8 9.58 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.218 -0.926 . . . . 0.0 110.959 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 676' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 697' ' ' GLN . 0.0 OUTLIER -138.44 102.77 4.71 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.548 -0.72 . . . . 0.0 110.209 -179.704 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 677' ' ' CYS . . . . . 0.55 ' HB2' ' CB ' ' A' ' 666' ' ' GLN . 0.0 OUTLIER -58.29 143.88 43.15 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.127 -0.983 . . . . 0.0 110.065 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 3.0 tp -116.36 -19.99 9.91 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.286 -0.884 . . . . 0.0 110.649 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 679' ' ' GLN . . . . . 0.425 ' HB3' ' NE2' ' A' ' 681' ' ' HIS . 11.8 mm100 -135.84 143.36 44.16 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 120.993 -1.067 . . . . 0.0 110.571 -179.727 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 680' ' ' PRO . . . . . 0.966 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 2.8 Cg_endo -63.35 92.76 0.16 Allowed 'Trans proline' 0 C--N 1.314 -1.246 0 O-C-N 123.582 1.307 . . . . 0.0 110.228 179.651 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 681' ' ' HIS . . . . . 0.425 ' NE2' ' HB3' ' A' ' 679' ' ' GLN . 10.5 m-70 -131.0 -166.07 1.65 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.248 -0.908 . . . . 0.0 110.355 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 4.1 m -126.03 118.96 26.42 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.256 -0.903 . . . . 0.0 110.343 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 49.4 m -90.08 140.44 29.65 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.239 -0.913 . . . . 0.0 109.717 179.421 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 684' ' ' LEU . . . . . 0.892 HD13 ' N ' ' A' ' 684' ' ' LEU . 0.0 OUTLIER -137.22 -167.67 2.15 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.262 -0.899 . . . . 0.0 110.888 -179.652 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -67.01 82.05 0.11 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.347 -0.846 . . . . 0.0 110.26 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 686' ' ' GLY . . . . . 0.448 ' O ' ' HD2' ' A' ' 689' ' ' PRO . . . 164.87 -31.48 0.24 Allowed Glycine 0 N--CA 1.489 2.223 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 2.3 m0 -86.72 32.89 0.65 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.117 -1.225 . . . . 0.0 110.464 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 688' ' ' GLU . . . . . 0.612 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 2.5 mt-10 -86.31 -45.83 0.57 Allowed Pre-proline 0 N--CA 1.494 1.762 0 O-C-N 121.168 -0.957 . . . . 0.0 110.704 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 689' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.8 Cg_endo -68.41 -6.36 17.37 Favored 'Trans proline' 0 C--N 1.315 -1.186 0 O-C-N 123.21 1.11 . . . . 0.0 110.05 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 690' ' ' SER . . . . . 0.495 ' O ' ' OG ' ' A' ' 690' ' ' SER . 1.3 p 68.72 56.48 0.44 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.439 -0.788 . . . . 0.0 109.81 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -79.56 6.34 10.73 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.23 -0.919 . . . . 0.0 110.569 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 692' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 692' ' ' VAL . 18.3 m -137.89 81.69 27.44 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.071 -1.018 . . . . 0.0 110.521 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.05 -20.99 70.15 Favored 'Trans proline' 0 C--N 1.311 -1.435 0 O-C-N 123.745 1.392 . . . . 0.0 110.534 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -49.87 -37.72 32.36 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.209 -0.932 . . . . 0.0 110.12 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 695' ' ' LEU . . . . . 1.063 HD13 ' N ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -122.68 -12.15 8.13 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.26 -0.9 . . . . 0.0 110.311 -179.917 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 696' ' ' TRP . . . . . 1.063 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.8 OUTLIER -103.66 101.47 11.32 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.002 -1.061 . . . . 0.0 110.024 179.552 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 697' ' ' GLN . . . . . 0.405 ' O ' ' HB2' ' A' ' 676' ' ' LYS . 35.1 tp60 -100.93 97.54 8.12 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.193 -0.942 . . . . 0.0 110.158 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 698' ' ' LEU . . . . . 0.903 HD13 ' CE1' ' A' ' 675' ' ' TYR . 20.5 tp -75.01 160.26 30.75 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.162 -0.961 . . . . 0.0 110.246 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 699' ' ' GLN . . . . . 0.531 ' N ' ' HG ' ' A' ' 698' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.238 -0.914 . . . . 0.0 110.164 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 656' ' ' TRP . . . . . 0.418 ' NE1' ' OG ' ' A' ' 683' ' ' SER . 67.1 t90 . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.327 0.584 . . . . 0.0 110.222 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -151.98 119.07 5.86 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.254 -0.903 . . . . 0.0 110.013 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 658' ' ' VAL . . . . . . . . . . . . . 3.1 p -50.98 149.87 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.181 -0.949 . . . . 0.0 110.254 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 60.95 52.29 4.21 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.279 -0.888 . . . . 0.0 110.026 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 50.5 m -140.22 139.37 35.61 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.256 -0.903 . . . . 0.0 110.407 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -77.69 143.54 38.03 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.184 -0.948 . . . . 0.0 110.353 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 662' ' ' TYR . . . . . 0.429 ' O ' ' HA ' ' A' ' 680' ' ' PRO . 29.0 m-85 -137.82 148.79 45.79 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.29 -0.881 . . . . 0.0 110.274 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 40.6 p -100.03 178.36 4.82 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.255 -0.903 . . . . 0.0 110.093 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 664' ' ' ALA . . . . . 1.079 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -81.83 131.47 35.26 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.228 -0.92 . . . . 0.0 110.195 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 665' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 85.97 26.93 32.88 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 666' ' ' GLN . . . . . 0.452 ' O ' ' HG ' ' A' ' 667' ' ' LEU . 0.0 OUTLIER -89.14 -178.2 5.61 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.144 -1.209 . . . . 0.0 109.815 179.773 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 667' ' ' LEU . . . . . 0.456 ' HA ' ' HA ' ' A' ' 676' ' ' LYS . 9.1 mt -142.68 99.38 3.47 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.014 -1.054 . . . . 0.0 110.907 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 668' ' ' VAL . . . . . . . . . . . . . 3.4 m -107.02 174.85 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.353 -0.842 . . . . 0.0 109.463 179.331 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 68.1 p . . . . . 0 N--CA 1.492 1.651 0 O-C-N 120.951 -1.093 . . . . 0.0 110.22 179.729 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 674' ' ' THR . . . . . 0.471 ' HB ' ' HG3' ' A' ' 699' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 121.165 0.507 . . . . 0.0 109.934 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 675' ' ' TYR . . . . . 0.637 ' CE2' ' CB ' ' A' ' 690' ' ' SER . 17.9 m-85 -133.47 164.37 27.29 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.291 -0.88 . . . . 0.0 110.855 -179.542 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 676' ' ' LYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 667' ' ' LEU . 0.0 OUTLIER -141.24 143.02 33.91 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.519 -0.738 . . . . 0.0 109.74 179.584 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 677' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 665' ' ' GLY . 4.9 t -87.68 144.22 26.76 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.091 -1.006 . . . . 0.0 109.979 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.405 ' O ' ' HB1' ' A' ' 664' ' ' ALA . 0.0 OUTLIER -109.97 -22.52 11.8 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.229 -0.919 . . . . 0.0 110.231 -179.896 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 679' ' ' GLN . . . . . 0.408 ' HA ' ' HD3' ' A' ' 680' ' ' PRO . 2.1 mt-30 -133.91 143.44 47.47 Favored Pre-proline 0 N--CA 1.493 1.696 0 O-C-N 121.296 -0.878 . . . . 0.0 110.249 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 680' ' ' PRO . . . . . 1.079 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 2.8 Cg_endo -62.99 100.44 0.25 Allowed 'Trans proline' 0 C--N 1.312 -1.386 0 O-C-N 123.562 1.296 . . . . 0.0 110.467 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 681' ' ' HIS . . . . . 0.507 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 7.6 m-70 -139.81 -173.12 3.55 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.209 -0.932 . . . . 0.0 110.059 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 42.3 m -118.25 121.92 41.66 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.135 -0.978 . . . . 0.0 110.26 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 683' ' ' SER . . . . . 0.418 ' OG ' ' NE1' ' A' ' 656' ' ' TRP . 1.2 t -71.3 144.23 50.04 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.266 -0.896 . . . . 0.0 109.883 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 684' ' ' LEU . . . . . 0.6 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.8 OUTLIER -146.77 -177.17 5.51 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.27 -0.894 . . . . 0.0 110.584 -179.877 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -64.25 73.23 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.391 -0.818 . . . . 0.0 110.241 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 686' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 176.75 -33.23 0.08 OUTLIER Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 37.9 m0 -86.59 33.03 0.64 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.219 -1.165 . . . . 0.0 110.296 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 688' ' ' GLU . . . . . 0.587 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.9 mt-10 -89.62 -48.71 0.39 Allowed Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 121.187 -0.945 . . . . 0.0 110.428 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 689' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.5 Cg_endo -70.46 -4.64 14.9 Favored 'Trans proline' 0 C--N 1.313 -1.291 0 O-C-N 123.242 1.127 . . . . 0.0 109.942 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 690' ' ' SER . . . . . 0.637 ' CB ' ' CE2' ' A' ' 675' ' ' TYR . 0.1 OUTLIER 56.72 44.8 22.99 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.365 -0.835 . . . . 0.0 109.471 -179.295 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 691' ' ' ASN . . . . . 0.632 ' OD1' HG13 ' A' ' 692' ' ' VAL . 14.5 p30 -79.93 6.59 10.85 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.451 -0.781 . . . . 0.0 110.009 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 692' ' ' VAL . . . . . 0.632 HG13 ' OD1' ' A' ' 691' ' ' ASN . 6.7 m -122.8 81.5 49.23 Favored Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.311 -0.868 . . . . 0.0 109.884 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -61.37 -15.58 41.59 Favored 'Trans proline' 0 C--N 1.309 -1.501 0 O-C-N 123.788 1.415 . . . . 0.0 110.277 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -57.6 -27.05 62.38 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.327 -0.858 . . . . 0.0 110.494 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 695' ' ' LEU . . . . . 0.978 ' O ' HD22 ' A' ' 695' ' ' LEU . 0.0 OUTLIER -140.99 5.05 1.91 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.132 -0.98 . . . . 0.0 111.002 179.921 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 696' ' ' TRP . . . . . 0.635 ' N ' HD13 ' A' ' 695' ' ' LEU . 2.1 m95 -129.18 92.94 3.47 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.036 -1.04 . . . . 0.0 110.471 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -100.95 135.22 42.75 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.219 -0.926 . . . . 0.0 109.619 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 698' ' ' LEU . . . . . 0.687 HD12 ' N ' ' A' ' 699' ' ' GLN . 0.9 OUTLIER -114.12 -172.36 2.08 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.868 -1.145 . . . . 0.0 110.974 -179.373 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 699' ' ' GLN . . . . . 0.687 ' N ' HD12 ' A' ' 698' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.489 -0.757 . . . . 0.0 110.212 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 656' ' ' TRP . . . . . 0.426 ' HA ' ' HB ' ' A' ' 668' ' ' VAL . 52.2 t90 . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 121.238 0.542 . . . . 0.0 110.205 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -122.47 116.43 23.93 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.355 -0.841 . . . . 0.0 110.152 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 658' ' ' VAL . . . . . 0.438 ' H ' HG12 ' A' ' 658' ' ' VAL . 2.8 p -59.13 155.45 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.253 -0.904 . . . . 0.0 110.181 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 48.69 63.27 2.17 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.322 -0.861 . . . . 0.0 109.859 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 660' ' ' THR . . . . . 0.447 ' O ' ' HA ' ' A' ' 682' ' ' THR . 29.8 m -140.32 158.12 44.52 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.319 -0.863 . . . . 0.0 110.403 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -99.18 112.9 24.94 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.328 -0.858 . . . . 0.0 110.236 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -113.86 138.5 50.22 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.237 -0.914 . . . . 0.0 110.166 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 663' ' ' THR . . . . . 0.459 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 60.4 p -100.43 149.35 23.75 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.268 -0.895 . . . . 0.0 110.11 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 664' ' ' ALA . . . . . 0.975 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -42.68 132.95 3.61 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.281 -0.887 . . . . 0.0 110.292 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 92.92 21.33 30.99 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.767 -1.333 . . . . 0.0 109.767 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 666' ' ' GLN . . . . . 0.563 ' CB ' ' HB2' ' A' ' 677' ' ' CYS . 1.1 mm-40 -88.48 -179.64 6.12 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.185 -1.185 . . . . 0.0 109.99 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 667' ' ' LEU . . . . . 0.475 ' HA ' ' HA ' ' A' ' 676' ' ' LYS . 3.3 mt -147.12 116.26 6.92 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.109 -0.994 . . . . 0.0 110.62 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 668' ' ' VAL . . . . . 0.426 ' HB ' ' HA ' ' A' ' 656' ' ' TRP . 3.1 m -124.45 169.37 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.381 -0.824 . . . . 0.0 109.731 179.641 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.157 -0.964 . . . . 0.0 110.225 179.686 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 674' ' ' THR . . . . . 0.473 ' O ' ' HB2' ' A' ' 698' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.043 0.449 . . . . 0.0 109.853 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 675' ' ' TYR . . . . . 0.604 ' CE2' ' HB3' ' A' ' 698' ' ' LEU . 25.8 m-85 -132.13 160.96 34.48 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.115 -0.991 . . . . 0.0 110.896 -179.446 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 676' ' ' LYS . . . . . 0.544 ' CG ' ' HB3' ' A' ' 697' ' ' GLN . 0.5 OUTLIER -140.5 138.53 34.66 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.481 -0.762 . . . . 0.0 109.597 179.303 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 677' ' ' CYS . . . . . 0.563 ' HB2' ' CB ' ' A' ' 666' ' ' GLN . 0.0 OUTLIER -80.4 133.75 35.93 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.159 -0.963 . . . . 0.0 110.595 -179.495 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' A' ' 695' ' ' LEU . 3.6 mm? -105.47 -21.08 13.29 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.304 -0.873 . . . . 0.0 110.121 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 679' ' ' GLN . . . . . 0.405 ' HB2' ' CD2' ' A' ' 681' ' ' HIS . 38.5 mt-30 -133.35 142.92 45.99 Favored Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.25 -0.906 . . . . 0.0 109.974 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 680' ' ' PRO . . . . . 0.975 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 2.9 Cg_endo -60.35 94.9 0.1 Allowed 'Trans proline' 0 C--N 1.312 -1.389 0 O-C-N 123.583 1.307 . . . . 0.0 110.914 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 681' ' ' HIS . . . . . 0.457 ' HB3' ' CZ3' ' A' ' 687' ' ' TRP . 11.4 m-70 -137.01 163.7 30.11 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.201 -0.937 . . . . 0.0 110.109 179.691 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 682' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' A' ' 660' ' ' THR . 97.0 m -100.58 128.95 46.47 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.267 -0.896 . . . . 0.0 110.425 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.6 151.61 37.8 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.307 -0.871 . . . . 0.0 110.112 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 684' ' ' LEU . . . . . 0.709 ' H ' HD23 ' A' ' 684' ' ' LEU . 1.0 OUTLIER -153.37 179.27 8.92 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.324 -0.86 . . . . 0.0 110.421 179.897 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -64.56 69.75 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.24 -0.912 . . . . 0.0 110.165 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 686' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . -178.22 -32.97 0.05 OUTLIER Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 687' ' ' TRP . . . . . 0.457 ' CZ3' ' HB3' ' A' ' 681' ' ' HIS . 36.1 m0 -87.64 35.09 0.71 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.251 -1.147 . . . . 0.0 110.066 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 688' ' ' GLU . . . . . 0.584 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.1 mt-10 -89.84 -48.72 0.39 Allowed Pre-proline 0 N--CA 1.494 1.743 0 O-C-N 121.258 -0.901 . . . . 0.0 110.181 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 689' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.8 Cg_endo -71.73 -5.64 17.48 Favored 'Trans proline' 0 C--N 1.314 -1.283 0 O-C-N 123.217 1.114 . . . . 0.0 109.957 179.573 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 690' ' ' SER . . . . . 0.446 ' HB3' ' CE2' ' A' ' 675' ' ' TYR . 0.7 OUTLIER 64.16 61.54 0.91 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.394 -0.816 . . . . 0.0 110.124 -179.872 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -85.85 14.02 6.56 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.324 -0.86 . . . . 0.0 110.42 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 692' ' ' VAL . . . . . 0.493 HG23 ' CD1' ' A' ' 695' ' ' LEU . 17.9 m -140.05 76.96 26.63 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.041 -1.037 . . . . 0.0 110.547 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -60.84 -20.76 67.92 Favored 'Trans proline' 0 C--N 1.31 -1.488 0 O-C-N 123.594 1.313 . . . . 0.0 110.435 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -55.16 -40.48 70.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.334 -0.854 . . . . 0.0 110.316 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 695' ' ' LEU . . . . . 1.095 HD13 ' N ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -113.94 -14.49 12.45 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.099 -1.001 . . . . 0.0 110.008 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 696' ' ' TRP . . . . . 1.095 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.5 OUTLIER -106.25 99.91 9.47 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.289 -0.882 . . . . 0.0 109.552 179.292 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 697' ' ' GLN . . . . . 0.544 ' HB3' ' CG ' ' A' ' 676' ' ' LYS . 5.1 tp60 -99.45 113.25 25.5 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.17 -0.956 . . . . 0.0 110.126 -179.711 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 698' ' ' LEU . . . . . 0.651 HD12 ' N ' ' A' ' 699' ' ' GLN . 0.5 OUTLIER -105.3 -173.66 2.35 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.212 -0.93 . . . . 0.0 110.418 -179.758 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 699' ' ' GLN . . . . . 0.651 ' N ' HD12 ' A' ' 698' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.511 0 O-C-N 121.308 -0.87 . . . . 0.0 110.175 -179.903 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 656' ' ' TRP . . . . . 0.702 ' CH2' HG22 ' A' ' 658' ' ' VAL . 84.4 t90 . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.275 0.56 . . . . 0.0 110.167 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -139.25 158.29 44.42 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.232 -0.918 . . . . 0.0 110.165 179.887 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 658' ' ' VAL . . . . . 0.702 HG22 ' CH2' ' A' ' 656' ' ' TRP . 15.0 t -89.62 148.05 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.296 -0.878 . . . . 0.0 110.439 -179.631 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 62.3 52.46 3.1 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.226 -0.922 . . . . 0.0 110.124 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 92.7 m -133.51 160.53 37.17 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.263 -0.898 . . . . 0.0 110.49 -179.802 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -101.64 131.55 47.81 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.246 -0.909 . . . . 0.0 110.132 179.787 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -126.63 151.89 47.41 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.2 -0.937 . . . . 0.0 110.314 -179.787 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 33.9 p -104.08 172.56 6.73 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.292 -0.88 . . . . 0.0 109.916 179.82 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 664' ' ' ALA . . . . . 0.887 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -70.65 127.02 31.26 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.256 -0.902 . . . . 0.0 110.416 -179.808 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 665' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 94.28 27.54 11.88 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 179.736 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 666' ' ' GLN . . . . . 0.536 ' CB ' ' HB2' ' A' ' 677' ' ' CYS . 0.0 OUTLIER -90.7 172.17 8.85 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.244 -1.151 . . . . 0.0 110.483 -179.896 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 667' ' ' LEU . . . . . 0.68 HD21 ' HE3' ' A' ' 676' ' ' LYS . 1.6 mt -132.46 116.41 16.75 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.386 -0.821 . . . . 0.0 109.811 179.622 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 668' ' ' VAL . . . . . 0.46 ' HB ' ' HB2' ' A' ' 656' ' ' TRP . 2.4 m -123.22 164.68 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.037 -1.039 . . . . 0.0 110.384 -179.718 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 669' ' ' THR . . . . . 0.831 ' CG2' HG23 ' A' ' 674' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.246 -0.908 . . . . 0.0 110.104 179.671 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 674' ' ' THR . . . . . 0.831 HG23 ' CG2' ' A' ' 669' ' ' THR . 1.5 m . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.106 0.479 . . . . 0.0 109.855 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 675' ' ' TYR . . . . . 0.797 ' CZ ' HD13 ' A' ' 698' ' ' LEU . 52.8 m-85 -122.39 -179.08 4.07 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.102 -0.998 . . . . 0.0 110.534 -179.899 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 676' ' ' LYS . . . . . 0.68 ' HE3' HD21 ' A' ' 667' ' ' LEU . 0.5 OUTLIER -140.48 113.1 8.06 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.343 -0.848 . . . . 0.0 110.39 -179.745 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 677' ' ' CYS . . . . . 0.536 ' HB2' ' CB ' ' A' ' 666' ' ' GLN . 0.1 OUTLIER -61.09 133.12 55.71 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.153 -0.967 . . . . 0.0 109.821 179.579 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.563 ' O ' HD23 ' A' ' 678' ' ' LEU . 0.9 OUTLIER -110.29 -18.49 13.26 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.293 -0.879 . . . . 0.0 110.426 -179.676 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 679' ' ' GLN . . . . . 0.425 ' HA ' ' HB2' ' A' ' 664' ' ' ALA . 0.5 OUTLIER -144.36 149.92 46.23 Favored Pre-proline 0 N--CA 1.49 1.551 0 O-C-N 121.241 -0.912 . . . . 0.0 110.422 -179.704 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 680' ' ' PRO . . . . . 0.887 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.3 Cg_exo -58.04 105.72 0.22 Allowed 'Trans proline' 0 C--N 1.312 -1.394 0 O-C-N 123.724 1.381 . . . . 0.0 110.642 179.758 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 681' ' ' HIS . . . . . 0.444 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 9.9 m80 -146.16 167.79 22.57 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.224 -0.923 . . . . 0.0 110.249 -179.884 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 54.9 m -106.18 126.98 52.88 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.254 -0.904 . . . . 0.0 110.39 -179.802 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 35.3 p -78.91 145.35 34.14 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.28 -0.888 . . . . 0.0 109.972 179.716 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 684' ' ' LEU . . . . . 0.667 ' H ' HD23 ' A' ' 684' ' ' LEU . 1.1 pt? -146.03 171.49 14.8 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.256 -0.902 . . . . 0.0 110.756 -179.778 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 685' ' ' ALA . . . . . 0.419 ' N ' HG13 ' A' ' 658' ' ' VAL . . . -63.15 75.51 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.314 -0.866 . . . . 0.0 110.135 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 686' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 173.72 -32.48 0.11 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.252 -1.539 . . . . 0.0 109.252 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 18.1 m0 -89.09 38.19 0.88 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.327 -1.102 . . . . 0.0 109.903 179.86 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 688' ' ' GLU . . . . . 0.607 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.7 mt-10 -87.98 -47.34 0.46 Allowed Pre-proline 0 N--CA 1.496 1.847 0 O-C-N 121.429 -0.794 . . . . 0.0 110.694 -179.878 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 689' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.8 Cg_endo -69.63 -3.51 12.08 Favored 'Trans proline' 0 C--N 1.316 -1.175 0 O-C-N 123.235 1.124 . . . . 0.0 110.467 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 690' ' ' SER . . . . . 0.583 ' HB3' ' CE2' ' A' ' 675' ' ' TYR . 1.5 p 64.3 56.28 1.34 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.303 -0.873 . . . . 0.0 109.703 -179.612 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -81.92 13.67 3.17 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.286 -0.884 . . . . 0.0 110.855 -179.372 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 692' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 692' ' ' VAL . 17.2 m -140.15 83.11 16.12 Favored Pre-proline 0 N--CA 1.494 1.727 0 O-C-N 120.97 -1.081 . . . . 0.0 110.529 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.11 -12.6 23.73 Favored 'Trans proline' 0 C--N 1.31 -1.473 0 O-C-N 123.654 1.344 . . . . 0.0 110.379 179.9 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -58.55 -39.39 80.08 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.318 -0.864 . . . . 0.0 110.457 -179.885 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 695' ' ' LEU . . . . . 1.057 HD13 ' N ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -123.46 -11.5 7.85 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.238 -0.914 . . . . 0.0 110.211 -179.793 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 696' ' ' TRP . . . . . 1.057 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.4 OUTLIER -103.9 108.16 19.36 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.224 -0.923 . . . . 0.0 110.153 179.512 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 697' ' ' GLN . . . . . 0.477 ' O ' ' HB2' ' A' ' 676' ' ' LYS . 45.1 tt0 -99.94 93.92 6.02 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.156 -0.965 . . . . 0.0 109.82 179.828 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 698' ' ' LEU . . . . . 0.797 HD13 ' CZ ' ' A' ' 675' ' ' TYR . 19.9 tp -70.49 154.21 42.12 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.185 -0.947 . . . . 0.0 110.426 -179.553 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 699' ' ' GLN . . . . . 0.422 ' N ' ' HG ' ' A' ' 698' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.351 -0.843 . . . . 0.0 110.283 -179.91 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 656' ' ' TRP . . . . . 0.405 ' CH2' ' OE1' ' A' ' 688' ' ' GLU . 55.3 t90 . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 121.253 0.549 . . . . 0.0 109.939 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -107.5 142.77 36.85 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.26 -0.9 . . . . 0.0 110.456 -179.671 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 658' ' ' VAL . . . . . 0.402 ' O ' ' HB2' ' A' ' 659' ' ' ASN . 8.5 p -79.19 154.02 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.248 -0.908 . . . . 0.0 110.246 179.937 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 659' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' A' ' 658' ' ' VAL . 3.2 m120 55.78 55.39 7.13 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.238 -0.914 . . . . 0.0 109.779 -179.75 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 21.9 m -139.92 154.55 47.27 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.311 -0.868 . . . . 0.0 110.332 -179.475 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -97.85 122.81 41.41 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.32 -0.862 . . . . 0.0 110.164 179.861 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -112.68 167.78 10.2 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.328 -0.857 . . . . 0.0 110.22 179.865 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.92 -172.7 2.13 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.359 -0.838 . . . . 0.0 110.114 179.828 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 664' ' ' ALA . . . . . 0.718 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -81.4 151.07 28.09 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.208 -0.933 . . . . 0.0 110.572 -179.526 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 665' ' ' GLY . . . . . 0.421 ' CA ' ' O ' ' A' ' 677' ' ' CYS . . . 55.3 34.92 59.65 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 179.878 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 666' ' ' GLN . . . . . 0.513 ' O ' ' HA ' ' A' ' 676' ' ' LYS . 0.0 OUTLIER -85.4 175.19 9.01 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.294 -1.121 . . . . 0.0 110.308 179.923 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 667' ' ' LEU . . . . . 0.763 HD13 ' C ' ' A' ' 667' ' ' LEU . 3.0 tm? -130.52 117.56 19.79 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.266 -0.896 . . . . 0.0 110.34 -179.828 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 668' ' ' VAL . . . . . 0.436 ' CG2' ' HB2' ' A' ' 675' ' ' TYR . 3.2 m -129.98 177.47 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.223 -0.923 . . . . 0.0 110.214 179.947 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.493 1.713 0 O-C-N 121.166 -0.959 . . . . 0.0 109.985 179.769 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 674' ' ' THR . . . . . 0.557 ' O ' HD12 ' A' ' 698' ' ' LEU . 12.0 m . . . . . 0 N--CA 1.489 1.518 0 CA-C-O 121.195 0.521 . . . . 0.0 109.682 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 675' ' ' TYR . . . . . 0.775 ' CZ ' HD13 ' A' ' 698' ' ' LEU . 19.7 m-85 -125.08 170.98 10.65 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.213 -0.93 . . . . 0.0 110.599 -179.475 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 676' ' ' LYS . . . . . 0.513 ' HA ' ' O ' ' A' ' 666' ' ' GLN . 0.3 OUTLIER -140.37 103.4 4.56 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.372 -0.83 . . . . 0.0 110.014 -179.802 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 677' ' ' CYS . . . . . 0.507 ' HB3' ' HB2' ' A' ' 666' ' ' GLN . 0.1 OUTLIER -52.08 148.08 6.63 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.224 -0.922 . . . . 0.0 110.258 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.578 HD23 ' OE1' ' A' ' 679' ' ' GLN . 0.8 OUTLIER -119.65 -8.19 9.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.24 -0.913 . . . . 0.0 110.097 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 679' ' ' GLN . . . . . 0.578 ' OE1' HD23 ' A' ' 678' ' ' LEU . 0.1 OUTLIER -160.0 154.53 20.47 Favored Pre-proline 0 N--CA 1.49 1.552 0 O-C-N 121.187 -0.945 . . . . 0.0 110.464 179.93 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 680' ' ' PRO . . . . . 0.718 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.2 Cg_exo -60.63 116.21 3.19 Favored 'Trans proline' 0 C--N 1.312 -1.38 0 O-C-N 123.825 1.434 . . . . 0.0 110.981 -179.932 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 681' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 680' ' ' PRO . 51.0 m-70 -156.93 177.05 11.95 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.215 -0.928 . . . . 0.0 110.398 179.711 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 682' ' ' THR . . . . . 0.428 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 22.7 m -116.26 121.49 42.16 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.232 -0.918 . . . . 0.0 110.593 -179.591 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 1.4 m -79.38 143.34 35.18 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.222 -0.924 . . . . 0.0 110.036 179.769 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 684' ' ' LEU . . . . . 0.58 ' O ' HD23 ' A' ' 684' ' ' LEU . 0.5 OUTLIER -149.24 -177.47 5.85 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.263 -0.898 . . . . 0.0 110.507 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -60.25 85.63 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.331 -0.856 . . . . 0.0 110.167 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 686' ' ' GLY . . . . . 0.451 ' O ' ' HD2' ' A' ' 689' ' ' PRO . . . 158.81 -36.51 0.5 Allowed Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.764 -1.334 . . . . 0.0 109.764 179.899 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 687' ' ' TRP . . . . . 0.428 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 34.3 m0 -85.75 31.88 0.6 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.147 -1.208 . . . . 0.0 110.671 -179.696 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 688' ' ' GLU . . . . . 0.598 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 0.6 OUTLIER -87.55 -48.01 0.47 Allowed Pre-proline 0 N--CA 1.494 1.748 0 O-C-N 121.052 -1.03 . . . . 0.0 110.477 179.976 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 689' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.9 Cg_endo -69.97 -5.6 16.73 Favored 'Trans proline' 0 C--N 1.314 -1.288 0 O-C-N 123.264 1.139 . . . . 0.0 110.239 179.756 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 690' ' ' SER . . . . . 0.5 ' O ' ' OG ' ' A' ' 690' ' ' SER . 1.5 p 68.22 61.04 0.4 Allowed 'General case' 0 N--CA 1.495 1.786 0 CA-C-O 121.671 0.748 . . . . 0.0 110.219 -179.775 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -81.79 0.35 39.62 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.045 -1.034 . . . . 0.0 110.714 -179.861 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 692' ' ' VAL . . . . . 0.487 ' O ' ' HB2' ' A' ' 696' ' ' TRP . 6.6 m -128.97 83.07 67.35 Favored Pre-proline 0 N--CA 1.493 1.7 0 O-C-N 121.04 -1.037 . . . . 0.0 110.426 -179.66 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -59.48 -26.26 81.39 Favored 'Trans proline' 0 C--N 1.31 -1.468 0 O-C-N 123.736 1.387 . . . . 0.0 110.681 -179.869 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -50.81 -40.04 54.56 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.306 -0.871 . . . . 0.0 110.444 -179.838 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 695' ' ' LEU . . . . . 1.051 HD13 ' N ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -120.57 -11.79 9.02 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.098 -1.001 . . . . 0.0 110.886 -179.691 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 696' ' ' TRP . . . . . 1.051 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.3 OUTLIER -110.11 109.0 19.37 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.973 -1.079 . . . . 0.0 110.058 179.407 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 697' ' ' GLN . . . . . 0.423 ' HG3' ' N ' ' A' ' 698' ' ' LEU . 6.8 tp60 -100.02 156.81 16.96 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.263 -0.898 . . . . 0.0 109.752 179.809 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 698' ' ' LEU . . . . . 0.775 HD13 ' CZ ' ' A' ' 675' ' ' TYR . 19.1 tp -128.33 153.62 46.83 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.081 -1.012 . . . . 0.0 110.325 -179.756 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 699' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' ' 698' ' ' LEU . 19.2 mt-30 . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.478 -0.764 . . . . 0.0 110.275 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 656' ' ' TRP . . . . . 0.67 ' CH2' HG12 ' A' ' 658' ' ' VAL . 91.6 t90 . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.239 0.542 . . . . 0.0 110.221 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -139.61 140.2 36.93 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.181 -0.949 . . . . 0.0 110.242 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 658' ' ' VAL . . . . . 0.67 HG12 ' CH2' ' A' ' 656' ' ' TRP . 24.7 m -70.79 164.55 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.296 -0.878 . . . . 0.0 110.056 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 659' ' ' ASN . . . . . 0.407 ' O ' ' CG ' ' A' ' 659' ' ' ASN . 21.1 t30 48.99 45.12 22.87 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.291 -0.881 . . . . 0.0 109.707 -179.741 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 23.0 m -138.91 122.51 17.4 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.37 -0.831 . . . . 0.0 110.321 -179.796 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 661' ' ' ALA . . . . . 0.479 ' HA ' ' HA ' ' A' ' 682' ' ' THR . . . -75.31 137.01 40.86 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.273 -0.892 . . . . 0.0 110.203 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 662' ' ' TYR . . . . . 0.518 ' O ' ' HA ' ' A' ' 680' ' ' PRO . 16.3 m-85 -121.96 162.93 20.2 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.245 -0.909 . . . . 0.0 110.199 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 663' ' ' THR . . . . . 0.425 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 12.1 p -107.04 -171.21 1.84 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.164 -0.96 . . . . 0.0 110.264 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 664' ' ' ALA . . . . . 0.821 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -83.22 157.14 22.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.192 -0.943 . . . . 0.0 110.192 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 665' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 55.4 22.39 30.63 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 179.917 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 666' ' ' GLN . . . . . 0.469 ' HB3' ' CB ' ' A' ' 677' ' ' CYS . 9.8 tp-100 -79.39 171.12 15.6 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.182 -1.187 . . . . 0.0 110.085 179.895 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.17 126.41 40.99 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.219 -0.926 . . . . 0.0 110.392 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 668' ' ' VAL . . . . . . . . . . . . . 2.2 m -139.29 163.3 26.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.27 -0.893 . . . . 0.0 109.913 179.902 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 3.1 p . . . . . 0 N--CA 1.49 1.561 0 O-C-N 121.119 -0.988 . . . . 0.0 110.072 179.525 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 674' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 675' ' ' TYR . . . . . 0.479 ' HA ' ' HA ' ' A' ' 698' ' ' LEU . 16.9 m-85 -145.29 157.42 44.06 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.957 -1.089 . . . . 0.0 111.064 -179.511 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 676' ' ' LYS . . . . . 0.421 ' HD3' ' CD ' ' A' ' 699' ' ' GLN . 0.0 OUTLIER -140.33 118.9 12.29 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.531 -0.731 . . . . 0.0 109.777 179.885 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 677' ' ' CYS . . . . . 0.479 ' O ' ' N ' ' A' ' 665' ' ' GLY . 0.6 OUTLIER -70.7 144.04 51.13 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.182 -0.949 . . . . 0.0 110.543 -179.616 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.539 ' O ' ' HB1' ' A' ' 664' ' ' ALA . 4.3 mp -108.66 -31.06 7.9 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.167 -0.958 . . . . 0.0 110.06 179.758 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 679' ' ' GLN . . . . . 0.44 ' HB3' ' NE2' ' A' ' 681' ' ' HIS . 0.0 OUTLIER -129.65 142.44 45.3 Favored Pre-proline 0 N--CA 1.492 1.659 0 O-C-N 121.259 -0.9 . . . . 0.0 110.191 -179.997 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 680' ' ' PRO . . . . . 0.821 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.1 Cg_exo -60.88 107.39 0.44 Allowed 'Trans proline' 0 C--N 1.313 -1.294 0 O-C-N 123.46 1.242 . . . . 0.0 110.968 -179.905 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 681' ' ' HIS . . . . . 0.524 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 9.1 m-70 -139.1 -158.27 0.84 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.229 -0.919 . . . . 0.0 110.04 179.664 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 682' ' ' THR . . . . . 0.479 ' HA ' ' HA ' ' A' ' 661' ' ' ALA . 6.3 m -124.86 133.99 52.88 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.093 -1.005 . . . . 0.0 110.901 -179.478 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 683' ' ' SER . . . . . 0.518 ' HG ' ' HE1' ' A' ' 656' ' ' TRP . 0.5 OUTLIER -90.48 140.36 29.81 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.318 -0.864 . . . . 0.0 109.649 179.368 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 684' ' ' LEU . . . . . 0.683 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.8 OUTLIER -155.93 179.31 9.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.258 -0.901 . . . . 0.0 110.67 -179.837 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -65.33 71.59 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.399 -0.813 . . . . 0.0 109.998 179.889 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 686' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . -178.2 -33.49 0.05 OUTLIER Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.199 -1.56 . . . . 0.0 109.199 -179.868 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 687' ' ' TRP . . . . . 0.429 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 38.0 m0 -88.53 37.29 0.82 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.286 -1.126 . . . . 0.0 109.97 179.767 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 688' ' ' GLU . . . . . 0.587 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 2.1 mt-10 -90.27 -47.92 0.38 Allowed Pre-proline 0 N--CA 1.495 1.798 0 O-C-N 121.37 -0.831 . . . . 0.0 110.951 -179.49 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 689' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.6 Cg_endo -70.01 -3.51 12.33 Favored 'Trans proline' 0 C--N 1.315 -1.198 0 O-C-N 123.199 1.105 . . . . 0.0 110.201 -179.908 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 690' ' ' SER . . . . . . . . . . . . . 5.0 p 56.25 46.43 21.26 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.28 -0.888 . . . . 0.0 109.654 -179.223 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 691' ' ' ASN . . . . . 0.58 ' OD1' HG13 ' A' ' 692' ' ' VAL . 8.9 p30 -79.72 10.86 3.6 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.246 -0.909 . . . . 0.0 110.728 -179.754 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 692' ' ' VAL . . . . . 0.58 HG13 ' OD1' ' A' ' 691' ' ' ASN . 11.9 m -130.66 80.25 70.35 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.125 -0.984 . . . . 0.0 110.086 179.741 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -60.85 -19.72 63.25 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.773 1.407 . . . . 0.0 110.648 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -54.93 -28.89 54.51 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.217 -0.927 . . . . 0.0 110.275 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 695' ' ' LEU . . . . . 1.046 ' O ' HD22 ' A' ' 695' ' ' LEU . 0.0 OUTLIER -136.12 -4.5 2.16 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.172 -0.955 . . . . 0.0 111.007 -179.69 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 696' ' ' TRP . . . . . 0.959 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.7 OUTLIER -120.4 120.97 37.5 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.928 -1.108 . . . . 0.0 110.854 -179.976 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 697' ' ' GLN . . . . . 0.526 ' HG2' ' N ' ' A' ' 698' ' ' LEU . 29.0 tt0 -116.43 157.83 24.5 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.396 -0.815 . . . . 0.0 109.179 179.196 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 698' ' ' LEU . . . . . 0.686 HD12 ' N ' ' A' ' 699' ' ' GLN . 1.0 OUTLIER -140.57 164.84 29.08 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.909 -1.119 . . . . 0.0 110.61 -179.973 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 699' ' ' GLN . . . . . 0.686 ' N ' HD12 ' A' ' 698' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.704 0 O-C-N 121.496 -0.752 . . . . 0.0 110.054 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 656' ' ' TRP . . . . . 0.476 ' CZ2' ' HB2' ' A' ' 683' ' ' SER . 89.5 t90 . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.18 0.514 . . . . 0.0 109.859 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -137.13 153.27 50.54 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.132 -0.98 . . . . 0.0 110.443 -179.836 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 658' ' ' VAL . . . . . 0.447 HG22 ' CH2' ' A' ' 656' ' ' TRP . 18.4 t -78.17 154.94 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.297 -0.877 . . . . 0.0 110.029 179.771 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 57.93 53.36 6.95 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.22 -0.925 . . . . 0.0 110.124 -179.785 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 16.5 m -140.19 131.48 26.66 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.306 -0.871 . . . . 0.0 110.296 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -77.58 124.52 28.03 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.274 -0.891 . . . . 0.0 110.239 179.941 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -114.97 163.16 15.98 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.288 -0.882 . . . . 0.0 110.228 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 663' ' ' THR . . . . . 0.429 ' O ' ' HB3' ' A' ' 677' ' ' CYS . 0.0 OUTLIER -109.69 -172.47 2.05 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.24 -0.912 . . . . 0.0 110.027 179.905 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 664' ' ' ALA . . . . . 0.908 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -83.49 160.24 21.55 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.157 -0.964 . . . . 0.0 110.444 -179.667 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 665' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 50.67 28.55 16.05 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.69 -1.364 . . . . 0.0 109.69 179.888 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 666' ' ' GLN . . . . . 0.427 ' O ' ' HA ' ' A' ' 676' ' ' LYS . 0.5 OUTLIER -84.01 176.03 9.12 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.222 -1.163 . . . . 0.0 110.038 179.893 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 667' ' ' LEU . . . . . 0.465 HD13 ' O ' ' A' ' 675' ' ' TYR . 0.2 OUTLIER -136.74 111.14 8.51 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.195 -0.94 . . . . 0.0 110.74 -179.746 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 668' ' ' VAL . . . . . . . . . . . . . 2.4 m -120.33 173.71 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.315 -0.866 . . . . 0.0 109.343 179.537 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.493 1.71 0 O-C-N 120.811 -1.181 . . . . 0.0 110.183 179.663 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 674' ' ' THR . . . . . 0.468 ' O ' ' HB2' ' A' ' 698' ' ' LEU . 26.2 m . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 675' ' ' TYR . . . . . 0.926 ' CZ ' HD22 ' A' ' 698' ' ' LEU . 8.1 m-85 -119.65 159.72 23.89 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.151 -0.968 . . . . 0.0 111.576 -178.822 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 676' ' ' LYS . . . . . 0.46 ' HB3' ' O ' ' A' ' 697' ' ' GLN . 1.5 tmtt? -139.69 113.93 9.0 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.468 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 677' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 665' ' ' GLY . 0.0 OUTLIER -64.45 144.63 57.04 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.216 -0.928 . . . . 0.0 110.604 -179.447 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.671 ' O ' HD23 ' A' ' 678' ' ' LEU . 2.9 tt -112.29 -17.03 12.84 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.357 -0.839 . . . . 0.0 109.932 179.889 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 679' ' ' GLN . . . . . 0.538 ' HB3' ' NE2' ' A' ' 681' ' ' HIS . 0.7 OUTLIER -145.6 149.17 39.37 Favored Pre-proline 0 N--CA 1.489 1.501 0 O-C-N 121.24 -0.912 . . . . 0.0 110.33 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 680' ' ' PRO . . . . . 0.908 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.2 Cg_exo -60.82 114.08 2.0 Allowed 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.752 1.396 . . . . 0.0 111.162 -179.889 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 681' ' ' HIS . . . . . 0.543 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 40.8 m-70 -149.02 -160.64 1.2 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.303 -0.873 . . . . 0.0 110.15 179.343 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 682' ' ' THR . . . . . 0.462 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 17.4 m -138.01 123.74 19.88 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.188 -0.945 . . . . 0.0 110.39 -179.775 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 683' ' ' SER . . . . . 0.476 ' HB2' ' CZ2' ' A' ' 656' ' ' TRP . 83.7 p -71.05 141.83 50.89 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.269 -0.895 . . . . 0.0 110.034 179.847 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 684' ' ' LEU . . . . . 0.604 ' H ' HD23 ' A' ' 684' ' ' LEU . 1.0 OUTLIER -141.12 175.63 9.48 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.317 -0.864 . . . . 0.0 110.188 179.897 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -66.86 79.92 0.11 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.191 -0.943 . . . . 0.0 110.053 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 686' ' ' GLY . . . . . 0.44 ' O ' ' HD2' ' A' ' 689' ' ' PRO . . . 162.92 -23.05 0.19 Allowed Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 -179.904 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 687' ' ' TRP . . . . . 0.543 ' CG ' ' CD2' ' A' ' 684' ' ' LEU . 16.8 m0 -86.67 32.83 0.65 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.146 -1.208 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 688' ' ' GLU . . . . . 0.597 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 2.2 mt-10 -88.55 -47.17 0.44 Allowed Pre-proline 0 N--CA 1.495 1.821 0 O-C-N 121.196 -0.94 . . . . 0.0 110.659 -179.795 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 689' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.7 Cg_endo -70.56 -2.96 11.59 Favored 'Trans proline' 0 C--N 1.315 -1.206 0 O-C-N 123.2 1.105 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 690' ' ' SER . . . . . 0.492 ' O ' ' OG ' ' A' ' 690' ' ' SER . 1.7 p 64.82 59.11 0.92 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.43 -0.794 . . . . 0.0 110.031 -179.622 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -79.5 5.89 11.75 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.164 -0.96 . . . . 0.0 110.419 -179.807 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 692' ' ' VAL . . . . . 0.509 HG23 ' CD1' ' A' ' 695' ' ' LEU . 17.6 m -135.91 76.76 51.97 Favored Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.149 -0.969 . . . . 0.0 110.161 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -60.47 -16.9 44.87 Favored 'Trans proline' 0 C--N 1.312 -1.382 0 O-C-N 123.631 1.332 . . . . 0.0 110.41 -179.91 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -59.36 -41.65 89.77 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.197 -0.939 . . . . 0.0 110.084 179.918 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 695' ' ' LEU . . . . . 1.092 HD13 ' N ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -114.09 -15.31 12.28 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.268 -0.895 . . . . 0.0 110.268 -179.895 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 696' ' ' TRP . . . . . 1.092 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.1 OUTLIER -104.99 92.07 4.07 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.181 -0.95 . . . . 0.0 110.018 179.723 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 697' ' ' GLN . . . . . 0.46 ' O ' ' HB3' ' A' ' 676' ' ' LYS . 1.1 tt0 -106.7 102.35 11.73 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.137 -0.977 . . . . 0.0 109.904 179.876 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 698' ' ' LEU . . . . . 0.926 HD22 ' CZ ' ' A' ' 675' ' ' TYR . 0.7 OUTLIER -97.22 -163.82 1.08 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.233 -0.917 . . . . 0.0 110.522 -179.618 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 699' ' ' GLN . . . . . 0.62 ' N ' HD12 ' A' ' 698' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.373 -0.83 . . . . 0.0 110.05 -179.915 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 656' ' ' TRP . . . . . 0.586 ' CZ2' ' HB3' ' A' ' 683' ' ' SER . 91.1 t90 . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.24 0.543 . . . . 0.0 110.253 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 27.8 mm100 -130.73 149.11 52.53 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.283 -0.886 . . . . 0.0 110.146 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 658' ' ' VAL . . . . . 0.428 ' O ' ' HB2' ' A' ' 659' ' ' ASN . 4.0 p -72.79 153.35 7.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.219 -0.926 . . . . 0.0 110.158 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 659' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' A' ' 658' ' ' VAL . 1.9 m120 59.19 47.97 10.99 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.28 -0.887 . . . . 0.0 109.949 -179.809 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 96.1 m -132.15 147.1 52.41 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.238 -0.914 . . . . 0.0 110.312 -179.856 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -96.52 127.18 42.27 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.324 -0.86 . . . . 0.0 110.215 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 662' ' ' TYR . . . . . 0.509 ' HD2' ' HG ' ' A' ' 683' ' ' SER . 15.4 m-85 -118.94 150.82 39.26 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.165 -0.96 . . . . 0.0 110.237 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 66.2 p -99.72 178.52 4.81 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.294 -0.879 . . . . 0.0 110.092 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 664' ' ' ALA . . . . . 0.97 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -75.85 143.11 41.98 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.212 -0.93 . . . . 0.0 110.109 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 665' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 76.49 20.0 77.37 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 179.939 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -84.51 174.07 10.32 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.267 -1.137 . . . . 0.0 110.106 179.914 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -138.43 99.19 3.77 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.032 -1.043 . . . . 0.0 110.704 -179.694 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 668' ' ' VAL . . . . . 0.445 ' HB ' ' HB2' ' A' ' 656' ' ' TRP . 2.7 m -102.97 170.05 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.201 -0.937 . . . . 0.0 109.674 179.253 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 9.5 p . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.069 -1.019 . . . . 0.0 110.246 179.986 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 674' ' ' THR . . . . . . . . . . . . . 11.8 m . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 675' ' ' TYR . . . . . 0.583 ' CE2' ' HB3' ' A' ' 698' ' ' LEU . 25.3 m-85 -130.33 159.21 37.65 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.075 -1.015 . . . . 0.0 110.833 -179.532 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 676' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 697' ' ' GLN . 8.9 ptmt -140.37 138.82 35.12 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.38 -0.825 . . . . 0.0 109.978 179.929 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 677' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 665' ' ' GLY . 1.8 t -89.5 137.87 31.95 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.318 -0.864 . . . . 0.0 110.213 -179.843 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.428 ' C ' ' HG3' ' A' ' 679' ' ' GLN . 0.1 OUTLIER -107.37 -13.3 15.14 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.263 -0.898 . . . . 0.0 110.155 179.899 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 679' ' ' GLN . . . . . 0.471 ' HB3' ' NE2' ' A' ' 681' ' ' HIS . 37.3 mt-30 -142.21 141.26 20.85 Favored Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.289 -0.882 . . . . 0.0 109.872 179.794 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 680' ' ' PRO . . . . . 0.97 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.1 Cg_exo -59.8 108.93 0.52 Allowed 'Trans proline' 0 C--N 1.313 -1.337 0 O-C-N 123.547 1.288 . . . . 0.0 110.698 179.898 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 681' ' ' HIS . . . . . 0.503 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 56.2 m-70 -146.93 -172.71 4.05 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.421 -0.8 . . . . 0.0 109.95 179.766 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 682' ' ' THR . . . . . 0.482 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 82.0 m -117.46 129.01 55.56 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.11 -0.994 . . . . 0.0 110.688 -179.762 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 683' ' ' SER . . . . . 0.586 ' HB3' ' CZ2' ' A' ' 656' ' ' TRP . 43.3 m -87.15 142.1 28.16 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.357 -0.84 . . . . 0.0 109.791 179.645 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 684' ' ' LEU . . . . . 0.638 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.7 OUTLIER -149.02 -178.7 6.52 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.204 -0.935 . . . . 0.0 110.696 -179.798 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -63.98 70.48 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.376 -0.828 . . . . 0.0 110.062 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 686' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . -177.31 -37.3 0.06 OUTLIER Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.1 -1.6 . . . . 0.0 109.1 -179.915 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 687' ' ' TRP . . . . . 0.482 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 41.5 m0 -87.24 32.98 0.68 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.292 -1.122 . . . . 0.0 110.129 179.798 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 688' ' ' GLU . . . . . 0.606 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 2.9 mt-10 -87.62 -47.19 0.48 Allowed Pre-proline 0 N--CA 1.494 1.759 0 O-C-N 121.259 -0.901 . . . . 0.0 110.613 -179.886 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 689' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.5 Cg_endo -69.94 -4.27 13.81 Favored 'Trans proline' 0 C--N 1.315 -1.219 0 O-C-N 123.229 1.12 . . . . 0.0 109.961 179.616 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 690' ' ' SER . . . . . 0.402 ' CB ' ' CE2' ' A' ' 675' ' ' TYR . 3.5 p 60.26 47.85 8.72 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.385 -0.822 . . . . 0.0 110.005 -179.477 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 691' ' ' ASN . . . . . 0.689 ' OD1' HG13 ' A' ' 692' ' ' VAL . 7.3 p30 -79.31 1.54 24.66 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.215 -0.928 . . . . 0.0 109.951 179.924 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 692' ' ' VAL . . . . . 0.689 HG13 ' OD1' ' A' ' 691' ' ' ASN . 20.3 m -123.3 71.43 45.71 Favored Pre-proline 0 N--CA 1.49 1.546 0 O-C-N 121.362 -0.836 . . . . 0.0 109.752 179.741 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 693' ' ' PRO . . . . . 0.41 ' HD3' ' C ' ' A' ' 691' ' ' ASN . 3.3 Cg_exo -57.72 -13.83 15.58 Favored 'Trans proline' 0 C--N 1.311 -1.396 0 O-C-N 123.75 1.395 . . . . 0.0 110.857 -179.622 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -54.34 -34.13 60.43 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.158 -0.964 . . . . 0.0 109.962 179.792 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 695' ' ' LEU . . . . . 1.053 ' O ' HD22 ' A' ' 695' ' ' LEU . 0.0 OUTLIER -129.64 -7.48 4.6 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.197 -0.94 . . . . 0.0 110.532 -179.933 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 696' ' ' TRP . . . . . 1.0 ' N ' HD13 ' A' ' 695' ' ' LEU . 1.7 m95 -111.28 95.4 5.5 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.105 -0.997 . . . . 0.0 110.362 179.718 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 697' ' ' GLN . . . . . 0.465 ' O ' ' HG2' ' A' ' 676' ' ' LYS . 0.1 OUTLIER -101.98 111.47 23.76 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.24 -0.912 . . . . 0.0 109.882 179.731 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 698' ' ' LEU . . . . . 0.681 HD12 ' N ' ' A' ' 699' ' ' GLN . 0.9 OUTLIER -88.07 -175.77 5.19 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.023 -1.048 . . . . 0.0 110.69 -179.515 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 699' ' ' GLN . . . . . 0.681 ' N ' HD12 ' A' ' 698' ' ' LEU . 8.6 pt20 . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.45 -0.781 . . . . 0.0 110.271 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 656' ' ' TRP . . . . . 0.942 ' CH2' HG22 ' A' ' 658' ' ' VAL . 61.1 t90 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.368 0.604 . . . . 0.0 110.351 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -134.14 145.87 49.69 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.261 -0.899 . . . . 0.0 110.025 179.916 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 658' ' ' VAL . . . . . 0.942 HG22 ' CH2' ' A' ' 656' ' ' TRP . 10.9 t -77.51 145.91 9.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.178 -0.951 . . . . 0.0 110.364 -179.916 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 659' ' ' ASN . . . . . 0.419 ' CB ' ' O ' ' A' ' 658' ' ' VAL . 0.7 OUTLIER 64.18 59.03 1.09 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.163 -0.96 . . . . 0.0 110.189 -179.979 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 5.3 m -139.17 164.86 28.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.191 -0.943 . . . . 0.0 110.45 -179.902 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -108.2 120.51 42.56 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.325 -0.859 . . . . 0.0 110.144 -179.953 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 662' ' ' TYR . . . . . 0.426 ' O ' ' HA ' ' A' ' 680' ' ' PRO . 26.1 m-85 -117.86 147.51 43.01 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.206 -0.934 . . . . 0.0 110.091 179.919 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 663' ' ' THR . . . . . 0.459 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 59.3 p -99.68 171.43 7.91 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.231 -0.918 . . . . 0.0 109.942 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 664' ' ' ALA . . . . . 0.902 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -65.95 138.32 57.75 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.171 -0.956 . . . . 0.0 109.944 179.893 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 665' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 81.16 27.4 49.31 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.275 -1.53 . . . . 0.0 109.275 -179.618 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 666' ' ' GLN . . . . . 0.498 ' HB3' ' HB2' ' A' ' 677' ' ' CYS . 5.3 tp-100 -87.17 173.02 9.48 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.29 -1.123 . . . . 0.0 110.082 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.39 102.12 4.7 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.22 -0.925 . . . . 0.0 110.794 -179.872 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 668' ' ' VAL . . . . . 0.478 HG11 ' HH2' ' A' ' 696' ' ' TRP . 2.5 m -110.31 166.77 5.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.19 -0.944 . . . . 0.0 109.558 179.444 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 669' ' ' THR . . . . . 0.435 HG22 ' HA ' ' A' ' 674' ' ' THR . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.59 0 O-C-N 120.959 -1.088 . . . . 0.0 110.435 179.73 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 674' ' ' THR . . . . . 0.435 ' HA ' HG22 ' A' ' 669' ' ' THR . 33.1 m . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 675' ' ' TYR . . . . . 0.609 ' CE2' ' HB3' ' A' ' 698' ' ' LEU . 22.0 m-85 -131.38 158.98 39.32 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.1 -1.0 . . . . 0.0 111.015 -179.248 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -140.17 138.27 35.05 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.551 -0.718 . . . . 0.0 109.458 179.291 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 677' ' ' CYS . . . . . 0.521 ' O ' ' N ' ' A' ' 665' ' ' GLY . 0.1 OUTLIER -90.35 140.11 30.02 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.211 -0.931 . . . . 0.0 110.239 -179.883 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.97 -9.48 17.06 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.34 -0.85 . . . . 0.0 109.988 179.881 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 679' ' ' GLN . . . . . 0.58 ' HB2' ' CD2' ' A' ' 681' ' ' HIS . 35.9 mt-30 -144.74 144.03 23.18 Favored Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 121.294 -0.879 . . . . 0.0 110.3 179.872 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 680' ' ' PRO . . . . . 0.902 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.2 Cg_exo -58.51 94.66 0.07 OUTLIER 'Trans proline' 0 C--N 1.312 -1.344 0 O-C-N 123.57 1.3 . . . . 0.0 110.417 179.568 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 681' ' ' HIS . . . . . 0.58 ' CD2' ' HB2' ' A' ' 679' ' ' GLN . 22.3 m-70 -133.03 163.57 28.93 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.357 -0.839 . . . . 0.0 110.116 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 9.6 m -102.33 126.8 49.46 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.275 -0.89 . . . . 0.0 110.516 -179.824 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 60.4 p -75.31 145.31 41.9 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.379 -0.825 . . . . 0.0 110.04 179.71 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 684' ' ' LEU . . . . . 0.587 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.7 OUTLIER -141.7 -179.2 6.04 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.12 -0.988 . . . . 0.0 110.647 -179.964 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -69.01 76.15 0.32 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.378 -0.826 . . . . 0.0 109.835 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 686' ' ' GLY . . . . . . . . . . . . . . . 170.27 -25.1 0.1 OUTLIER Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.839 -1.305 . . . . 0.0 109.839 -179.869 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 687' ' ' TRP . . . . . 0.424 ' CD1' HD21 ' A' ' 684' ' ' LEU . 32.3 m0 -86.92 36.46 0.72 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.009 -1.289 . . . . 0.0 110.21 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 688' ' ' GLU . . . . . 0.588 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 2.0 mt-10 -89.54 -48.3 0.4 Allowed Pre-proline 0 N--CA 1.496 1.859 0 O-C-N 121.25 -0.906 . . . . 0.0 110.693 -179.836 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 689' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.6 Cg_endo -70.28 -4.07 13.64 Favored 'Trans proline' 0 C--N 1.315 -1.2 0 O-C-N 123.253 1.133 . . . . 0.0 110.138 179.87 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 690' ' ' SER . . . . . 0.441 ' O ' ' OG ' ' A' ' 690' ' ' SER . 3.5 p 59.01 52.38 6.38 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.326 -0.859 . . . . 0.0 109.796 -179.281 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 691' ' ' ASN . . . . . 0.639 ' OD1' HG13 ' A' ' 692' ' ' VAL . 10.3 p30 -79.7 9.22 5.34 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.265 -0.897 . . . . 0.0 110.529 -179.716 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 692' ' ' VAL . . . . . 0.639 HG13 ' OD1' ' A' ' 691' ' ' ASN . 9.9 m -131.76 78.71 69.84 Favored Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.263 -0.898 . . . . 0.0 109.887 179.657 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.16 -18.04 55.96 Favored 'Trans proline' 0 C--N 1.313 -1.337 0 O-C-N 123.768 1.404 . . . . 0.0 110.879 -179.771 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -57.82 -33.66 68.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.19 -0.944 . . . . 0.0 110.166 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 695' ' ' LEU . . . . . 1.057 HD13 ' N ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -129.76 -10.67 4.42 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.247 -0.908 . . . . 0.0 110.751 -179.645 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 696' ' ' TRP . . . . . 1.057 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.5 OUTLIER -115.51 96.7 5.76 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.246 -0.909 . . . . 0.0 110.51 -179.759 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -101.48 164.03 11.97 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.371 -0.831 . . . . 0.0 109.515 179.37 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 698' ' ' LEU . . . . . 0.761 HD12 ' N ' ' A' ' 699' ' ' GLN . 0.8 OUTLIER -154.73 -176.09 5.74 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.924 -1.11 . . . . 0.0 110.58 -179.94 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 699' ' ' GLN . . . . . 0.761 ' N ' HD12 ' A' ' 698' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.612 0 O-C-N 121.296 -0.877 . . . . 0.0 110.207 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 656' ' ' TRP . . . . . 0.663 ' CZ3' HG12 ' A' ' 658' ' ' VAL . 80.8 t90 . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.116 0.484 . . . . 0.0 110.107 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -117.37 122.91 45.15 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.247 -0.908 . . . . 0.0 110.377 -179.833 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 658' ' ' VAL . . . . . 0.663 HG12 ' CZ3' ' A' ' 656' ' ' TRP . 5.4 m -55.48 143.66 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.154 -0.966 . . . . 0.0 110.061 179.822 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 659' ' ' ASN . . . . . 0.516 ' CB ' ' O ' ' A' ' 658' ' ' VAL . 1.2 t30 70.28 51.93 0.37 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.308 -0.87 . . . . 0.0 109.762 -179.748 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 86.7 m -138.93 137.71 36.69 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.324 -0.86 . . . . 0.0 110.301 -179.846 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -81.26 133.12 35.39 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.251 -0.906 . . . . 0.0 109.914 179.796 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 662' ' ' TYR . . . . . 0.47 ' CD2' ' HB3' ' A' ' 683' ' ' SER . 24.3 m-85 -120.33 150.53 40.59 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.17 -0.956 . . . . 0.0 110.413 -179.843 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 663' ' ' THR . . . . . 0.444 ' O ' ' HB2' ' A' ' 666' ' ' GLN . 0.1 OUTLIER -103.05 164.43 11.62 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.309 -0.869 . . . . 0.0 109.801 179.744 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 664' ' ' ALA . . . . . 0.942 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -64.68 124.02 20.84 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.173 -0.955 . . . . 0.0 110.433 -179.813 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 665' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 92.48 26.05 19.1 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 179.893 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 666' ' ' GLN . . . . . 0.533 ' CB ' ' HB3' ' A' ' 677' ' ' CYS . 0.5 OUTLIER -90.72 176.34 6.69 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.218 -1.166 . . . . 0.0 110.206 179.952 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -134.27 132.77 40.03 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.167 -0.958 . . . . 0.0 110.475 -179.863 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 668' ' ' VAL . . . . . 0.597 HG11 ' HH2' ' A' ' 696' ' ' TRP . 3.0 m -137.37 158.96 35.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.329 -0.857 . . . . 0.0 109.791 179.77 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 11.5 p . . . . . 0 N--CA 1.494 1.744 0 O-C-N 121.076 -1.015 . . . . 0.0 110.343 179.918 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 674' ' ' THR . . . . . 0.692 ' O ' HD12 ' A' ' 698' ' ' LEU . 41.1 m . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 121.228 0.537 . . . . 0.0 110.012 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 675' ' ' TYR . . . . . 0.868 ' CE2' HD13 ' A' ' 698' ' ' LEU . 94.9 m-85 -125.04 177.19 6.2 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.088 -1.007 . . . . 0.0 110.687 -179.697 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 676' ' ' LYS . . . . . 0.484 ' HB2' ' O ' ' A' ' 697' ' ' GLN . 4.6 mptt -140.16 104.73 4.89 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.335 -0.853 . . . . 0.0 110.278 -179.917 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 677' ' ' CYS . . . . . 0.533 ' HB3' ' CB ' ' A' ' 666' ' ' GLN . 37.9 t -55.34 139.72 41.98 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.165 -0.959 . . . . 0.0 109.938 179.804 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.49 HD23 ' HG2' ' A' ' 679' ' ' GLN . 1.1 tt -117.59 -19.59 9.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.306 -0.871 . . . . 0.0 110.42 -179.668 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 679' ' ' GLN . . . . . 0.49 ' HG2' HD23 ' A' ' 678' ' ' LEU . 1.9 mm100 -135.0 144.85 52.05 Favored Pre-proline 0 N--CA 1.489 1.496 0 O-C-N 121.182 -0.948 . . . . 0.0 110.35 -179.897 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 680' ' ' PRO . . . . . 0.942 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.0 Cg_exo -59.78 103.89 0.21 Allowed 'Trans proline' 0 C--N 1.312 -1.355 0 O-C-N 123.573 1.302 . . . . 0.0 110.462 179.861 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 681' ' ' HIS . . . . . 0.514 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 26.4 m-70 -147.64 170.22 17.99 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.253 -0.904 . . . . 0.0 110.12 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 682' ' ' THR . . . . . 0.434 ' O ' ' CD1' ' A' ' 684' ' ' LEU . 3.0 m -105.96 128.33 53.74 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.252 -0.905 . . . . 0.0 110.301 -179.723 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 683' ' ' SER . . . . . 0.664 ' C ' HD13 ' A' ' 684' ' ' LEU . 0.0 OUTLIER -89.77 142.86 27.29 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.272 -0.892 . . . . 0.0 109.854 179.603 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 684' ' ' LEU . . . . . 0.896 HD13 ' N ' ' A' ' 684' ' ' LEU . 0.0 OUTLIER -153.03 -166.88 2.57 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.195 -0.941 . . . . 0.0 110.773 -179.923 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -62.24 82.53 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.39 -0.819 . . . . 0.0 109.945 179.901 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 686' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 164.81 -38.78 0.29 Allowed Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 -179.84 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 687' ' ' TRP . . . . . 0.402 ' CZ3' ' HB3' ' A' ' 681' ' ' HIS . 15.7 m0 -87.2 34.44 0.69 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.268 -1.137 . . . . 0.0 110.207 179.867 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 688' ' ' GLU . . . . . 0.574 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 0.8 OUTLIER -90.16 -48.86 0.37 Allowed Pre-proline 0 N--CA 1.494 1.765 0 O-C-N 121.178 -0.951 . . . . 0.0 110.814 -179.629 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 689' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.7 Cg_endo -69.25 -5.09 15.04 Favored 'Trans proline' 0 C--N 1.314 -1.282 0 O-C-N 123.127 1.067 . . . . 0.0 110.257 -179.712 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 690' ' ' SER . . . . . 0.477 ' O ' ' OG ' ' A' ' 690' ' ' SER . 1.5 p 62.45 50.21 3.77 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.362 -0.836 . . . . 0.0 109.714 -179.567 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 691' ' ' ASN . . . . . 0.676 ' OD1' HG13 ' A' ' 692' ' ' VAL . 17.0 p30 -85.19 19.39 2.24 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.309 -0.869 . . . . 0.0 110.895 -179.426 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 692' ' ' VAL . . . . . 0.676 HG13 ' OD1' ' A' ' 691' ' ' ASN . 11.0 m -137.37 78.6 38.4 Favored Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.122 -0.986 . . . . 0.0 109.925 179.657 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -60.58 -14.19 29.65 Favored 'Trans proline' 0 C--N 1.312 -1.366 0 O-C-N 123.792 1.417 . . . . 0.0 110.854 -179.635 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -63.41 -39.08 93.54 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.083 -1.011 . . . . 0.0 110.104 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 695' ' ' LEU . . . . . 1.111 HD13 ' N ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -116.33 -14.01 11.03 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.251 -0.906 . . . . 0.0 110.129 179.905 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 696' ' ' TRP . . . . . 1.111 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.1 OUTLIER -104.98 112.56 25.74 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.237 -0.914 . . . . 0.0 110.275 179.802 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 697' ' ' GLN . . . . . 0.484 ' O ' ' HB2' ' A' ' 676' ' ' LYS . 19.8 tp60 -99.71 86.61 3.35 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.219 -0.926 . . . . 0.0 109.851 179.695 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 698' ' ' LEU . . . . . 0.868 HD13 ' CE2' ' A' ' 675' ' ' TYR . 22.4 tp -66.95 157.84 32.33 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.214 -0.929 . . . . 0.0 110.576 -179.611 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 699' ' ' GLN . . . . . 0.613 ' H ' HD12 ' A' ' 698' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.381 -0.824 . . . . 0.0 110.233 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 656' ' ' TRP . . . . . 0.443 ' C ' ' HG3' ' A' ' 657' ' ' GLN . 91.9 t90 . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.246 0.546 . . . . 0.0 110.202 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 657' ' ' GLN . . . . . 0.443 ' HG3' ' C ' ' A' ' 656' ' ' TRP . 37.9 mt-30 -146.53 155.8 42.78 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.31 -0.869 . . . . 0.0 110.114 179.896 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 658' ' ' VAL . . . . . 0.421 ' O ' ' CB ' ' A' ' 659' ' ' ASN . 33.2 m -77.78 152.96 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.173 -0.954 . . . . 0.0 110.113 179.961 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 659' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 658' ' ' VAL . 0.9 OUTLIER 64.47 51.37 2.02 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.168 -0.957 . . . . 0.0 109.956 -179.825 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 16.0 m -134.45 128.11 32.84 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.259 -0.9 . . . . 0.0 110.333 -179.874 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -84.18 110.68 18.71 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.31 -0.869 . . . . 0.0 109.975 179.814 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 662' ' ' TYR . . . . . 0.474 ' O ' ' HA ' ' A' ' 680' ' ' PRO . 18.2 m-85 -99.97 152.67 19.92 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.208 -0.932 . . . . 0.0 110.517 -179.762 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 663' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 21.1 p -106.71 173.45 6.32 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.366 -0.834 . . . . 0.0 109.755 179.532 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 664' ' ' ALA . . . . . 0.833 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -68.64 130.52 43.07 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.117 -0.989 . . . . 0.0 110.241 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 665' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 86.63 28.08 27.81 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.73 -1.348 . . . . 0.0 109.73 179.748 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 666' ' ' GLN . . . . . 0.484 ' HB3' ' HB2' ' A' ' 677' ' ' CYS . 1.3 tm0? -89.97 -174.17 4.14 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.17 -1.194 . . . . 0.0 109.978 179.845 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 667' ' ' LEU . . . . . 0.807 HD23 ' N ' ' A' ' 668' ' ' VAL . 5.0 tt -152.43 130.7 12.02 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.135 -0.978 . . . . 0.0 110.526 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 668' ' ' VAL . . . . . 0.807 ' N ' HD23 ' A' ' 667' ' ' LEU . 2.6 m -137.13 171.17 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.313 -0.867 . . . . 0.0 109.827 179.733 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 40.3 p . . . . . 0 N--CA 1.49 1.528 0 O-C-N 121.147 -0.97 . . . . 0.0 110.454 179.727 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 674' ' ' THR . . . . . 0.446 ' O ' ' HB2' ' A' ' 698' ' ' LEU . 98.3 m . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 121.144 0.497 . . . . 0.0 110.05 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 675' ' ' TYR . . . . . 0.625 ' CE2' ' HB3' ' A' ' 698' ' ' LEU . 33.0 m-85 -136.28 158.53 44.2 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.263 -0.898 . . . . 0.0 110.606 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.93 131.39 32.97 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.438 -0.789 . . . . 0.0 110.015 179.703 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 677' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 665' ' ' GLY . 0.5 OUTLIER -79.41 142.64 35.77 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.286 -0.883 . . . . 0.0 110.029 179.965 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.465 ' HB3' ' HA ' ' A' ' 695' ' ' LEU . 3.9 tp -115.07 -16.79 11.57 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.183 -0.948 . . . . 0.0 110.41 -179.897 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 679' ' ' GLN . . . . . 0.494 ' HB3' ' NE2' ' A' ' 681' ' ' HIS . 3.0 mm-40 -141.38 142.73 27.6 Favored Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.178 -0.951 . . . . 0.0 110.354 -179.884 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 680' ' ' PRO . . . . . 0.833 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.2 Cg_exo -59.89 110.7 0.79 Allowed 'Trans proline' 0 C--N 1.313 -1.307 0 O-C-N 123.638 1.336 . . . . 0.0 110.916 179.746 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 681' ' ' HIS . . . . . 0.519 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 43.9 m-70 -150.62 -174.89 4.9 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.244 -0.91 . . . . 0.0 110.091 179.737 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 682' ' ' THR . . . . . 0.566 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 12.1 m -118.04 121.37 40.44 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.237 -0.914 . . . . 0.0 110.582 -179.668 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 683' ' ' SER . . . . . 0.536 ' HA ' ' CE3' ' A' ' 687' ' ' TRP . 3.4 m -83.56 147.36 27.81 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.34 -0.85 . . . . 0.0 110.059 179.756 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 684' ' ' LEU . . . . . 0.551 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.5 OUTLIER -154.96 -171.68 3.92 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.206 -0.934 . . . . 0.0 110.534 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -64.12 70.79 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.372 -0.83 . . . . 0.0 110.095 179.894 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 686' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . -176.09 -36.82 0.05 OUTLIER Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.131 -1.588 . . . . 0.0 109.131 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 687' ' ' TRP . . . . . 0.566 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 47.7 m0 -89.19 38.75 0.91 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.337 -1.096 . . . . 0.0 110.1 179.86 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 688' ' ' GLU . . . . . 0.581 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.7 mt-10 -89.52 -48.76 0.4 Allowed Pre-proline 0 N--CA 1.494 1.738 0 O-C-N 121.266 -0.896 . . . . 0.0 110.563 -179.768 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 689' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.5 Cg_endo -70.65 -6.35 18.84 Favored 'Trans proline' 0 C--N 1.314 -1.287 0 O-C-N 123.187 1.098 . . . . 0.0 109.843 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 690' ' ' SER . . . . . 0.479 ' CB ' ' CE2' ' A' ' 675' ' ' TYR . 1.9 p 61.58 51.5 4.01 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.393 -0.817 . . . . 0.0 109.615 -179.469 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 691' ' ' ASN . . . . . 0.633 ' OD1' HG13 ' A' ' 692' ' ' VAL . 12.3 p30 -82.64 14.82 2.9 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.285 -0.884 . . . . 0.0 110.664 -179.642 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 692' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 692' ' ' VAL . 30.6 m -136.62 80.31 38.41 Favored Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.1 -1.0 . . . . 0.0 110.135 179.762 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.86 -13.79 32.88 Favored 'Trans proline' 0 C--N 1.312 -1.36 0 O-C-N 123.734 1.387 . . . . 0.0 110.512 -179.929 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -54.65 -33.47 60.72 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.24 -0.913 . . . . 0.0 110.363 -179.896 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 695' ' ' LEU . . . . . 0.889 HD12 ' N ' ' A' ' 696' ' ' TRP . 1.2 pp -130.97 -4.14 3.99 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.29 -0.882 . . . . 0.0 110.437 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 696' ' ' TRP . . . . . 0.889 ' N ' HD12 ' A' ' 695' ' ' LEU . 1.1 m95 -113.84 97.94 6.71 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.15 -0.969 . . . . 0.0 110.619 -179.639 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -101.08 108.6 20.34 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.15 -0.969 . . . . 0.0 109.773 179.476 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 698' ' ' LEU . . . . . 0.686 HD12 ' N ' ' A' ' 699' ' ' GLN . 0.5 OUTLIER -102.3 -179.15 3.9 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.195 -0.941 . . . . 0.0 110.829 -179.459 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 699' ' ' GLN . . . . . 0.686 ' N ' HD12 ' A' ' 698' ' ' LEU . 1.8 pt20 . . . . . 0 N--CA 1.492 1.674 0 O-C-N 121.451 -0.781 . . . . 0.0 110.32 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 656' ' ' TRP . . . . . 0.929 ' CH2' HG12 ' A' ' 658' ' ' VAL . 84.4 t90 . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.173 0.511 . . . . 0.0 110.028 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -141.15 150.17 42.45 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.178 -0.951 . . . . 0.0 110.358 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 658' ' ' VAL . . . . . 0.929 HG12 ' CH2' ' A' ' 656' ' ' TRP . 11.6 m -86.68 158.86 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.344 -0.847 . . . . 0.0 110.101 179.908 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 659' ' ' ASN . . . . . 0.463 ' HB3' ' O ' ' A' ' 658' ' ' VAL . 52.3 t30 67.12 45.21 1.76 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.24 -0.913 . . . . 0.0 109.926 -179.853 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 2.9 m -140.38 164.26 30.58 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.256 -0.903 . . . . 0.0 110.491 -179.608 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 661' ' ' ALA . . . . . 0.442 ' HA ' ' HA ' ' A' ' 682' ' ' THR . . . -115.89 115.42 26.19 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.281 -0.887 . . . . 0.0 110.008 179.77 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 662' ' ' TYR . . . . . 0.467 ' O ' ' HA ' ' A' ' 680' ' ' PRO . 23.9 m-85 -101.07 155.08 18.19 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.128 -0.983 . . . . 0.0 110.344 -179.834 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 34.8 p -101.01 160.73 14.13 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.316 -0.865 . . . . 0.0 110.181 -179.906 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 664' ' ' ALA . . . . . 0.922 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -55.1 125.18 19.42 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.276 -0.89 . . . . 0.0 110.238 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 665' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 89.5 33.47 9.28 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.717 -1.353 . . . . 0.0 109.717 179.835 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 666' ' ' GLN . . . . . 0.512 ' HB2' ' HB3' ' A' ' 677' ' ' CYS . 0.0 OUTLIER -89.57 168.59 12.04 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.21 -1.17 . . . . 0.0 110.307 179.988 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 667' ' ' LEU . . . . . 0.591 HD13 ' C ' ' A' ' 667' ' ' LEU . 0.9 OUTLIER -128.05 105.08 8.14 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.248 -0.908 . . . . 0.0 110.161 -179.947 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 668' ' ' VAL . . . . . 0.482 ' CG2' ' HB2' ' A' ' 675' ' ' TYR . 2.6 m -115.33 166.24 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.183 -0.948 . . . . 0.0 110.005 179.897 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 669' ' ' THR . . . . . 0.415 ' HA ' ' HA ' ' A' ' 674' ' ' THR . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.131 -0.981 . . . . 0.0 109.984 179.539 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 674' ' ' THR . . . . . 0.508 ' O ' HD12 ' A' ' 698' ' ' LEU . 40.2 m . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.185 0.517 . . . . 0.0 110.032 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 675' ' ' TYR . . . . . 0.637 ' CZ ' HD13 ' A' ' 698' ' ' LEU . 39.2 m-85 -110.44 169.71 8.56 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.205 -0.934 . . . . 0.0 110.587 -179.878 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 676' ' ' LYS . . . . . 0.528 ' HB2' ' O ' ' A' ' 697' ' ' GLN . 0.1 OUTLIER -129.98 93.34 3.48 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.432 -0.793 . . . . 0.0 110.027 -179.941 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 677' ' ' CYS . . . . . 0.512 ' HB3' ' HB2' ' A' ' 666' ' ' GLN . 0.1 OUTLIER -48.29 144.85 3.65 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.244 -0.91 . . . . 0.0 110.388 -179.792 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.35 -2.41 6.88 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.258 -0.901 . . . . 0.0 110.657 -179.713 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 679' ' ' GLN . . . . . 0.41 ' HA ' ' HD3' ' A' ' 680' ' ' PRO . 44.2 mt-30 -145.73 139.97 15.28 Favored Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.113 -0.992 . . . . 0.0 110.494 -179.816 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 680' ' ' PRO . . . . . 0.922 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 2.7 Cg_endo -64.87 93.54 0.21 Allowed 'Trans proline' 0 C--N 1.315 -1.211 0 O-C-N 123.509 1.268 . . . . 0.0 110.375 179.715 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 681' ' ' HIS . . . . . 0.468 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 2.3 m-70 -136.79 -176.26 4.3 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.213 -0.93 . . . . 0.0 110.101 -179.931 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 682' ' ' THR . . . . . 0.442 ' HA ' ' HA ' ' A' ' 661' ' ' ALA . 40.4 m -116.37 126.06 52.95 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.321 -0.862 . . . . 0.0 110.25 179.939 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 683' ' ' SER . . . . . 0.44 ' HA ' ' CE3' ' A' ' 687' ' ' TRP . 2.5 m -89.62 146.26 24.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.289 -0.882 . . . . 0.0 110.049 179.819 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 684' ' ' LEU . . . . . 0.542 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.5 OUTLIER -145.21 -171.16 3.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.324 -0.86 . . . . 0.0 110.346 -179.839 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -65.08 67.05 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.35 -0.844 . . . . 0.0 110.116 179.87 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 686' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . -174.92 -33.46 0.04 OUTLIER Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 -179.889 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 687' ' ' TRP . . . . . 0.44 ' CE3' ' HA ' ' A' ' 683' ' ' SER . 43.9 m0 -86.93 34.14 0.67 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.122 -1.222 . . . . 0.0 110.398 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 688' ' ' GLU . . . . . 0.609 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.2 mt-10 -87.22 -47.11 0.5 Allowed Pre-proline 0 N--CA 1.494 1.756 0 O-C-N 121.202 -0.936 . . . . 0.0 110.593 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 689' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.7 Cg_endo -69.08 -5.53 16.01 Favored 'Trans proline' 0 C--N 1.314 -1.26 0 O-C-N 123.235 1.123 . . . . 0.0 110.145 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 690' ' ' SER . . . . . 0.474 ' O ' ' OG ' ' A' ' 690' ' ' SER . 1.5 p 64.55 51.66 1.92 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.381 -0.825 . . . . 0.0 109.655 -179.502 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 691' ' ' ASN . . . . . 0.871 ' OD1' HG13 ' A' ' 692' ' ' VAL . 16.6 p30 -79.88 6.44 11.13 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.236 -0.915 . . . . 0.0 110.717 -179.542 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 692' ' ' VAL . . . . . 0.871 HG13 ' OD1' ' A' ' 691' ' ' ASN . 16.7 m -132.03 76.91 72.66 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.144 -0.973 . . . . 0.0 110.076 179.639 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -60.36 -24.48 77.74 Favored 'Trans proline' 0 C--N 1.311 -1.404 0 O-C-N 123.738 1.388 . . . . 0.0 110.529 -179.905 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -47.7 -30.44 3.82 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.174 -0.954 . . . . 0.0 109.743 179.746 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 695' ' ' LEU . . . . . 0.767 ' C ' HD12 ' A' ' 695' ' ' LEU . 3.4 pp -127.04 -5.5 6.17 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.35 -0.844 . . . . 0.0 110.013 179.557 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 696' ' ' TRP . . . . . 0.738 ' N ' HD12 ' A' ' 695' ' ' LEU . 0.5 OUTLIER -106.97 105.41 15.43 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.143 -0.973 . . . . 0.0 110.002 179.842 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 697' ' ' GLN . . . . . 0.528 ' O ' ' HB2' ' A' ' 676' ' ' LYS . 3.9 tt0 -99.34 82.69 2.72 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.107 -0.996 . . . . 0.0 109.657 179.731 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 698' ' ' LEU . . . . . 0.637 HD13 ' CZ ' ' A' ' 675' ' ' TYR . 40.8 tp -63.1 158.39 19.82 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.039 -1.038 . . . . 0.0 110.54 -179.484 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 699' ' ' GLN . . . . . 0.561 ' H ' HD12 ' A' ' 698' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.291 -0.88 . . . . 0.0 110.214 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 656' ' ' TRP . . . . . 0.643 ' CH2' HG13 ' A' ' 658' ' ' VAL . 52.0 t90 . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 121.191 0.52 . . . . 0.0 110.095 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -139.1 128.43 24.18 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.309 -0.87 . . . . 0.0 110.363 -179.88 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 658' ' ' VAL . . . . . 0.643 HG13 ' CH2' ' A' ' 656' ' ' TRP . 6.6 m -61.97 158.27 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.306 -0.871 . . . . 0.0 110.232 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 53.66 52.82 12.46 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.268 -0.895 . . . . 0.0 109.726 -179.747 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 660' ' ' THR . . . . . 0.422 ' O ' ' HA ' ' A' ' 682' ' ' THR . 22.1 m -136.57 155.21 50.24 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.353 -0.842 . . . . 0.0 110.453 -179.68 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -103.63 114.63 29.05 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.233 -0.917 . . . . 0.0 110.109 179.893 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -105.85 155.83 18.94 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.299 -0.876 . . . . 0.0 110.04 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 12.7 p -99.8 177.58 5.08 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.18 -0.95 . . . . 0.0 110.102 179.929 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 664' ' ' ALA . . . . . 0.841 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -73.75 129.68 38.43 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.343 -0.848 . . . . 0.0 110.246 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 665' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 79.57 32.93 36.12 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.714 -1.354 . . . . 0.0 109.714 179.696 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 666' ' ' GLN . . . . . 0.429 ' HB3' ' HB3' ' A' ' 677' ' ' CYS . 5.4 tp-100 -89.98 160.71 16.24 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.309 -1.112 . . . . 0.0 110.146 179.769 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 667' ' ' LEU . . . . . 0.758 HD13 ' C ' ' A' ' 667' ' ' LEU . 3.4 tm? -114.11 112.16 22.76 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.164 -0.96 . . . . 0.0 110.229 -179.962 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 668' ' ' VAL . . . . . . . . . . . . . 2.3 m -125.65 166.08 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.228 -0.92 . . . . 0.0 109.843 179.69 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 2.6 p . . . . . 0 N--CA 1.49 1.53 0 O-C-N 121.191 -0.943 . . . . 0.0 110.166 179.863 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 674' ' ' THR . . . . . 0.472 ' HB ' ' HG3' ' A' ' 699' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.074 0.464 . . . . 0.0 109.991 . . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 675' ' ' TYR . . . . . 0.616 ' CE1' ' HB3' ' A' ' 698' ' ' LEU . 21.0 m-85 -138.8 154.83 48.51 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.219 -0.926 . . . . 0.0 110.871 -179.815 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 676' ' ' LYS . . . . . 0.43 ' HD2' ' OE1' ' A' ' 699' ' ' GLN . 0.0 OUTLIER -131.26 101.04 5.39 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.462 -0.773 . . . . 0.0 110.318 -179.655 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 677' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 665' ' ' GLY . 5.8 t -57.23 148.09 23.41 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.257 -0.902 . . . . 0.0 110.126 179.714 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.51 ' O ' ' HB1' ' A' ' 664' ' ' ALA . 0.2 OUTLIER -120.19 -21.21 7.07 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.223 -0.923 . . . . 0.0 110.671 -179.738 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 679' ' ' GLN . . . . . 0.477 ' HB2' ' CD2' ' A' ' 681' ' ' HIS . 14.7 mm100 -133.38 147.07 63.42 Favored Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.133 -0.979 . . . . 0.0 110.637 -179.687 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 680' ' ' PRO . . . . . 0.841 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 2.7 Cg_endo -62.98 100.37 0.24 Allowed 'Trans proline' 0 C--N 1.314 -1.271 0 O-C-N 123.643 1.339 . . . . 0.0 110.531 179.894 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 681' ' ' HIS . . . . . 0.477 ' CD2' ' HB2' ' A' ' 679' ' ' GLN . 48.3 m-70 -142.36 -177.14 5.12 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.164 -0.96 . . . . 0.0 110.309 179.872 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 682' ' ' THR . . . . . 0.431 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 31.7 m -114.67 123.18 48.65 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.334 -0.854 . . . . 0.0 110.185 -179.927 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 683' ' ' SER . . . . . 0.4 ' HA ' ' CE3' ' A' ' 687' ' ' TRP . 0.1 OUTLIER -77.44 147.62 35.86 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.327 -0.858 . . . . 0.0 109.779 179.729 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 684' ' ' LEU . . . . . 0.667 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.7 OUTLIER -155.41 -176.21 5.83 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.34 -0.85 . . . . 0.0 110.601 -179.923 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -64.92 64.67 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.559 -0.713 . . . . 0.0 110.211 -179.811 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 686' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . -169.49 -36.4 0.02 OUTLIER Glycine 0 N--CA 1.489 2.183 0 N-CA-C 109.135 -1.586 . . . . 0.0 109.135 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 687' ' ' TRP . . . . . 0.431 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 44.8 m0 -87.68 37.1 0.78 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.291 -1.123 . . . . 0.0 110.059 179.742 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 688' ' ' GLU . . . . . 0.591 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.5 mt-10 -88.42 -48.22 0.44 Allowed Pre-proline 0 N--CA 1.497 1.89 0 O-C-N 121.276 -0.89 . . . . 0.0 110.459 -179.851 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 689' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.5 Cg_endo -70.22 -4.56 14.59 Favored 'Trans proline' 0 C--N 1.314 -1.272 0 O-C-N 123.271 1.143 . . . . 0.0 109.861 179.832 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 690' ' ' SER . . . . . 0.513 ' CB ' ' CE1' ' A' ' 675' ' ' TYR . 4.8 p 56.9 45.73 20.9 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.313 -0.867 . . . . 0.0 109.462 -179.209 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 691' ' ' ASN . . . . . 0.502 ' OD1' HG13 ' A' ' 692' ' ' VAL . 21.3 p30 -79.56 4.19 16.58 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.437 -0.79 . . . . 0.0 110.187 -179.787 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 692' ' ' VAL . . . . . 0.522 HG23 ' HD1' ' A' ' 696' ' ' TRP . 1.2 m -119.84 78.7 23.43 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.344 -0.848 . . . . 0.0 110.037 179.689 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -60.93 -16.08 42.76 Favored 'Trans proline' 0 C--N 1.311 -1.434 0 O-C-N 123.78 1.411 . . . . 0.0 110.43 -179.912 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -56.77 -32.75 65.93 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.282 -0.886 . . . . 0.0 110.223 -179.906 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 695' ' ' LEU . . . . . 0.85 HD12 ' N ' ' A' ' 696' ' ' TRP . 1.2 pp -133.58 -2.43 3.03 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.253 -0.905 . . . . 0.0 110.731 -179.789 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 696' ' ' TRP . . . . . 0.85 ' N ' HD12 ' A' ' 695' ' ' LEU . 2.3 m95 -120.65 95.55 4.77 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.982 -1.073 . . . . 0.0 110.443 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 39.6 tp60 -99.9 105.14 16.83 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.264 -0.898 . . . . 0.0 109.777 179.637 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 698' ' ' LEU . . . . . 0.74 HD12 ' N ' ' A' ' 699' ' ' GLN . 0.4 OUTLIER -82.68 171.45 14.0 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.176 -0.953 . . . . 0.0 110.679 -179.398 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 699' ' ' GLN . . . . . 0.74 ' N ' HD12 ' A' ' 698' ' ' LEU . 2.9 pt20 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.424 -0.797 . . . . 0.0 110.18 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 655' ' ' ALA . . . . . 0.443 ' N ' ' OG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.19 0.519 . . . . 0.0 110.195 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 656' ' ' TRP . . . . . 1.153 ' CH2' HG22 ' A' ' 658' ' ' VAL . 30.2 t90 -51.22 146.42 6.71 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.114 -0.991 . . . . 0.0 109.958 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -119.94 122.66 41.71 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.206 -0.934 . . . . 0.0 110.447 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 658' ' ' VAL . . . . . 1.153 HG22 ' CH2' ' A' ' 656' ' ' TRP . 2.9 t -73.23 145.51 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.265 -0.897 . . . . 0.0 109.884 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 659' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 658' ' ' VAL . 3.0 m-80 60.56 53.31 4.17 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.22 -0.925 . . . . 0.0 110.059 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 660' ' ' THR . . . . . 0.495 ' O ' HG23 ' A' ' 682' ' ' THR . 8.0 m -136.34 173.5 11.63 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.165 -0.96 . . . . 0.0 110.388 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 661' ' ' ALA . . . . . 0.446 ' H ' HG22 ' A' ' 660' ' ' THR . . . -110.84 112.96 25.18 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.247 -0.908 . . . . 0.0 109.975 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -108.31 153.07 23.77 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.192 -0.943 . . . . 0.0 110.414 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 663' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 664' ' ' ALA . 60.4 p -112.97 148.34 35.26 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.323 -0.861 . . . . 0.0 109.912 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 664' ' ' ALA . . . . . 1.007 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -43.24 147.75 0.34 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.296 -0.877 . . . . 0.0 110.102 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 76.94 20.52 75.89 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 666' ' ' GLN . . . . . 0.518 ' HB2' ' HB3' ' A' ' 677' ' ' CYS . 0.9 OUTLIER -88.41 172.6 9.26 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.238 -1.154 . . . . 0.0 110.101 179.888 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 667' ' ' LEU . . . . . 0.463 ' HG ' ' HG3' ' A' ' 676' ' ' LYS . 1.2 tt -137.65 111.47 8.25 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.308 -0.87 . . . . 0.0 110.437 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 668' ' ' VAL . . . . . 0.569 HG21 ' CH2' ' A' ' 696' ' ' TRP . 2.3 m -116.36 161.45 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.206 -0.934 . . . . 0.0 109.9 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 669' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' A' ' 655' ' ' ALA . 4.0 p -140.52 125.53 18.42 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.143 -0.973 . . . . 0.0 110.279 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 670' ' ' TYR . . . . . 0.686 ' CE2' ' CD2' ' A' ' 656' ' ' TRP . 70.7 m-85 -97.72 -156.7 0.55 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.32 -0.863 . . . . 0.0 109.837 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 671' ' ' ASN . . . . . 0.418 ' O ' ' HG2' ' A' ' 673' ' ' LYS . 2.5 t-20 -47.82 90.87 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.037 -1.039 . . . . 0.0 110.121 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 672' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 670' ' ' TYR . . . 52.02 30.05 29.5 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 673' ' ' LYS . . . . . 0.488 ' HB2' ' HB2' ' A' ' 670' ' ' TYR . 19.3 mmtt -116.21 147.62 41.25 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.132 -1.217 . . . . 0.0 110.448 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 674' ' ' THR . . . . . . . . . . . . . 7.2 m -103.7 134.17 47.47 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.382 -0.824 . . . . 0.0 110.062 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 675' ' ' TYR . . . . . 0.62 ' CE1' ' HB3' ' A' ' 698' ' ' LEU . 18.0 m-85 -142.18 147.51 36.72 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.22 -0.925 . . . . 0.0 110.52 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 676' ' ' LYS . . . . . 0.463 ' HG3' ' HG ' ' A' ' 667' ' ' LEU . 0.0 OUTLIER -130.15 107.57 9.4 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.37 -0.831 . . . . 0.0 110.343 -179.804 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 677' ' ' CYS . . . . . 0.522 ' O ' HD12 ' A' ' 678' ' ' LEU . 0.1 OUTLIER -61.31 136.02 57.91 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.224 -0.922 . . . . 0.0 110.144 179.847 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.522 HD12 ' O ' ' A' ' 677' ' ' CYS . 1.9 mp -120.48 -3.66 9.88 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.147 -0.971 . . . . 0.0 110.466 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 679' ' ' GLN . . . . . 0.462 ' HB2' ' CB ' ' A' ' 695' ' ' LEU . 0.0 OUTLIER -135.87 131.27 18.95 Favored Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 121.109 -0.994 . . . . 0.0 110.201 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 680' ' ' PRO . . . . . 1.007 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.1 Cg_exo -62.16 109.04 0.75 Allowed 'Trans proline' 0 C--N 1.315 -1.225 0 O-C-N 123.508 1.267 . . . . 0.0 110.842 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 681' ' ' HIS . . . . . 0.536 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 8.4 m-70 -155.62 -168.98 2.97 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.417 -0.802 . . . . 0.0 110.108 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 682' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 660' ' ' THR . 24.9 m -117.83 125.29 50.27 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.145 -0.972 . . . . 0.0 110.527 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.79 136.86 47.25 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.226 -0.921 . . . . 0.0 109.771 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 684' ' ' LEU . . . . . 0.732 ' H ' HD23 ' A' ' 684' ' ' LEU . 1.6 pt? -132.47 167.48 19.88 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.174 -0.954 . . . . 0.0 110.779 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -63.4 71.6 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.475 -0.765 . . . . 0.0 110.316 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 686' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 178.02 -31.94 0.07 OUTLIER Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 18.3 m0 -88.55 36.27 0.79 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.282 -1.128 . . . . 0.0 109.808 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 688' ' ' GLU . . . . . 0.624 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 2.1 mt-10 -86.91 -46.2 0.52 Allowed Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 121.355 -0.84 . . . . 0.0 110.808 -179.503 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 689' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.5 Cg_endo -68.09 -5.78 15.58 Favored 'Trans proline' 0 C--N 1.314 -1.244 0 O-C-N 123.206 1.109 . . . . 0.0 110.22 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 690' ' ' SER . . . . . 0.497 ' CB ' ' CE1' ' A' ' 675' ' ' TYR . 1.3 p 66.78 51.98 0.99 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.331 -0.855 . . . . 0.0 109.691 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 691' ' ' ASN . . . . . 0.759 ' OD1' HG13 ' A' ' 692' ' ' VAL . 13.3 p30 -79.62 9.39 5.06 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.213 -0.929 . . . . 0.0 110.586 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 692' ' ' VAL . . . . . 0.759 HG13 ' OD1' ' A' ' 691' ' ' ASN . 15.8 m -134.23 80.05 53.97 Favored Pre-proline 0 N--CA 1.492 1.633 0 O-C-N 121.168 -0.957 . . . . 0.0 109.905 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -59.54 -23.4 70.78 Favored 'Trans proline' 0 C--N 1.311 -1.412 0 O-C-N 123.675 1.355 . . . . 0.0 110.244 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -44.57 -27.06 0.43 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.296 -0.878 . . . . 0.0 109.685 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 695' ' ' LEU . . . . . 0.687 ' C ' HD12 ' A' ' 695' ' ' LEU . 4.3 pp -137.5 -3.29 1.91 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.299 -0.876 . . . . 0.0 110.791 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 696' ' ' TRP . . . . . 0.569 ' CH2' HG21 ' A' ' 668' ' ' VAL . 0.7 OUTLIER -102.54 104.44 14.85 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.041 -1.037 . . . . 0.0 110.546 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 697' ' ' GLN . . . . . 0.477 ' HB2' HD22 ' A' ' 678' ' ' LEU . 7.0 tp60 -99.74 85.25 3.06 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.277 -0.889 . . . . 0.0 109.696 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 698' ' ' LEU . . . . . 0.867 HD12 ' N ' ' A' ' 699' ' ' GLN . 0.5 OUTLIER -87.36 167.31 14.15 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.207 -0.933 . . . . 0.0 110.807 -179.397 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 699' ' ' GLN . . . . . 0.867 ' N ' HD12 ' A' ' 698' ' ' LEU . 2.0 pt20 . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.39 -0.819 . . . . 0.0 110.069 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 655' ' ' ALA . . . . . 0.467 ' HA ' ' OG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.24 0.543 . . . . 0.0 110.24 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 656' ' ' TRP . . . . . 0.677 ' CD2' ' CE2' ' A' ' 670' ' ' TYR . 54.0 t90 -61.2 128.83 38.31 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.237 -0.914 . . . . 0.0 110.365 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -114.83 140.8 48.64 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.19 -0.944 . . . . 0.0 110.169 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 658' ' ' VAL . . . . . 0.453 ' H ' HG12 ' A' ' 658' ' ' VAL . 5.9 p -73.16 160.07 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.349 -0.844 . . . . 0.0 110.861 -179.598 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 57.29 57.09 4.66 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.299 -0.875 . . . . 0.0 110.544 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 660' ' ' THR . . . . . 0.647 HG22 ' HB2' ' A' ' 683' ' ' SER . 3.4 t -140.27 169.66 17.26 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.176 -0.953 . . . . 0.0 110.221 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -117.1 111.41 19.47 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.196 -0.94 . . . . 0.0 109.957 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 662' ' ' TYR . . . . . 0.548 ' CZ ' HG21 ' A' ' 660' ' ' THR . 11.4 m-85 -100.36 158.52 15.83 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.185 -0.947 . . . . 0.0 110.365 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 34.0 p -108.41 163.68 13.0 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.332 -0.855 . . . . 0.0 109.925 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 664' ' ' ALA . . . . . 0.951 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -60.61 119.33 7.88 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.279 -0.888 . . . . 0.0 110.281 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 665' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 97.38 28.31 8.61 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 666' ' ' GLN . . . . . 0.534 ' CB ' ' HB2' ' A' ' 677' ' ' CYS . 0.8 OUTLIER -86.48 177.37 7.43 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.262 -1.14 . . . . 0.0 110.069 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 1.9 tt -140.5 101.09 4.03 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.215 -0.928 . . . . 0.0 110.541 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 668' ' ' VAL . . . . . 0.43 ' HB ' ' HB2' ' A' ' 656' ' ' TRP . 4.2 m -115.57 169.5 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.321 -0.862 . . . . 0.0 109.626 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 669' ' ' THR . . . . . 0.489 ' HA ' ' O ' ' A' ' 673' ' ' LYS . 41.0 p -140.82 129.87 23.35 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.994 -1.067 . . . . 0.0 110.553 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 670' ' ' TYR . . . . . 0.677 ' CE2' ' CD2' ' A' ' 656' ' ' TRP . 91.9 m-85 -96.35 87.75 4.55 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.167 -0.958 . . . . 0.0 110.127 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 671' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 670' ' ' TYR . 8.9 m-20 40.67 88.43 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.354 -0.841 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . 74.43 -1.05 52.82 Favored Glycine 0 N--CA 1.492 2.402 0 N-CA-C 110.1 -1.2 . . . . 0.0 110.1 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 673' ' ' LYS . . . . . 0.538 ' HB2' ' HB2' ' A' ' 670' ' ' TYR . 50.7 mmtt -102.16 138.28 39.32 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.089 -1.242 . . . . 0.0 110.67 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 674' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 698' ' ' LEU . 4.2 m -103.16 118.09 36.0 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.313 -0.867 . . . . 0.0 109.44 179.196 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 675' ' ' TYR . . . . . 0.617 ' CE2' ' HB3' ' A' ' 698' ' ' LEU . 16.8 m-85 -133.67 158.76 42.43 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.172 -0.955 . . . . 0.0 110.923 -179.295 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 676' ' ' LYS . . . . . 0.472 ' HG2' ' O ' ' A' ' 697' ' ' GLN . 0.9 OUTLIER -140.3 135.32 32.12 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.4 -0.812 . . . . 0.0 109.823 179.545 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 677' ' ' CYS . . . . . 0.534 ' HB2' ' CB ' ' A' ' 666' ' ' GLN . 0.0 OUTLIER -81.27 144.77 31.31 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.155 -0.965 . . . . 0.0 110.061 -179.877 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.9 -15.8 11.2 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.302 -0.873 . . . . 0.0 110.489 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -138.65 142.48 34.4 Favored Pre-proline 0 N--CA 1.492 1.633 0 O-C-N 121.166 -0.959 . . . . 0.0 110.391 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 680' ' ' PRO . . . . . 0.951 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.2 Cg_exo -61.92 105.0 0.35 Allowed 'Trans proline' 0 C--N 1.313 -1.302 0 O-C-N 123.617 1.325 . . . . 0.0 110.842 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 681' ' ' HIS . . . . . 0.521 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 14.5 m-70 -147.27 -161.26 1.29 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.299 -0.876 . . . . 0.0 110.029 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 682' ' ' THR . . . . . 0.52 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 21.5 m -130.65 135.23 47.64 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.098 -1.001 . . . . 0.0 110.673 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 683' ' ' SER . . . . . 0.647 ' HB2' HG22 ' A' ' 660' ' ' THR . 59.1 m -90.37 149.49 22.26 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.275 -0.891 . . . . 0.0 110.108 179.64 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 684' ' ' LEU . . . . . 0.635 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.7 OUTLIER -151.42 -177.75 6.26 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.344 -0.847 . . . . 0.0 110.233 179.824 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -64.29 74.75 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.238 -0.914 . . . . 0.0 110.011 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 686' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 175.04 -32.06 0.09 OUTLIER Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.626 -1.39 . . . . 0.0 109.626 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 687' ' ' TRP . . . . . 0.52 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 38.9 m0 -86.38 33.38 0.63 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.172 -1.193 . . . . 0.0 110.216 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 688' ' ' GLU . . . . . 0.592 ' HA ' ' CE2' ' A' ' 670' ' ' TYR . 0.7 OUTLIER -90.17 -48.44 0.38 Allowed Pre-proline 0 N--CA 1.496 1.841 0 O-C-N 121.222 -0.924 . . . . 0.0 110.759 -179.666 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 689' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.7 Cg_endo -70.54 -0.99 8.41 Favored 'Trans proline' 0 C--N 1.315 -1.205 0 O-C-N 123.258 1.136 . . . . 0.0 110.801 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 690' ' ' SER . . . . . 0.473 ' OG ' ' O ' ' A' ' 689' ' ' PRO . 4.0 p 60.89 56.77 2.78 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.287 -0.883 . . . . 0.0 109.917 -179.493 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 691' ' ' ASN . . . . . 0.427 ' C ' ' HD3' ' A' ' 693' ' ' PRO . 8.3 m-80 -79.44 -16.42 56.16 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.337 -0.852 . . . . 0.0 110.195 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 692' ' ' VAL . . . . . 0.788 HG23 ' O ' ' A' ' 692' ' ' VAL . 18.6 m -116.87 78.48 9.33 Favored Pre-proline 0 N--CA 1.489 1.52 0 O-C-N 121.168 -0.957 . . . . 0.0 110.217 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 693' ' ' PRO . . . . . 0.427 ' HD3' ' C ' ' A' ' 691' ' ' ASN . 3.0 Cg_exo -60.14 -14.88 30.96 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 O-C-N 123.664 1.349 . . . . 0.0 110.433 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -50.35 -32.37 17.13 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.216 -0.928 . . . . 0.0 110.063 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 695' ' ' LEU . . . . . 1.004 HD12 ' N ' ' A' ' 696' ' ' TRP . 1.0 OUTLIER -128.44 -12.25 5.02 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.206 -0.934 . . . . 0.0 110.557 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 696' ' ' TRP . . . . . 1.004 ' N ' HD12 ' A' ' 695' ' ' LEU . 2.8 m95 -105.29 97.03 6.93 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.171 -0.956 . . . . 0.0 110.37 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 697' ' ' GLN . . . . . 0.472 ' O ' ' HG2' ' A' ' 676' ' ' LYS . 0.4 OUTLIER -105.1 118.79 37.43 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.228 -0.92 . . . . 0.0 109.883 179.647 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 698' ' ' LEU . . . . . 1.009 HD12 ' N ' ' A' ' 699' ' ' GLN . 2.4 pp -102.29 -173.96 2.46 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.964 -1.085 . . . . 0.0 110.76 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 699' ' ' GLN . . . . . 1.009 ' N ' HD12 ' A' ' 698' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 O-C-N 121.522 -0.736 . . . . 0.0 110.227 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 655' ' ' ALA . . . . . 0.45 ' N ' ' HG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.183 0.516 . . . . 0.0 110.24 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 656' ' ' TRP . . . . . 0.42 ' CD2' ' CE1' ' A' ' 670' ' ' TYR . 76.2 t90 -67.18 121.66 16.14 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.112 -0.992 . . . . 0.0 110.168 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 24.3 mm100 -104.04 114.0 27.94 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.315 -0.866 . . . . 0.0 110.094 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 658' ' ' VAL . . . . . 0.453 HG22 ' OD1' ' A' ' 659' ' ' ASN . 7.1 p -56.55 155.83 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.192 -0.943 . . . . 0.0 110.119 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 659' ' ' ASN . . . . . 0.453 ' OD1' HG22 ' A' ' 658' ' ' VAL . 3.1 m120 50.96 59.29 4.73 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.314 -0.866 . . . . 0.0 110.136 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 660' ' ' THR . . . . . 0.401 HG22 ' N ' ' A' ' 661' ' ' ALA . 24.8 m -140.92 161.08 38.67 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.274 -0.891 . . . . 0.0 110.53 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 661' ' ' ALA . . . . . 0.401 ' N ' HG22 ' A' ' 660' ' ' THR . . . -104.33 126.57 51.54 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.25 -0.906 . . . . 0.0 109.906 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -120.89 148.58 43.86 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.192 -0.943 . . . . 0.0 110.453 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 56.1 p -100.78 162.04 13.19 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.35 -0.844 . . . . 0.0 109.996 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 664' ' ' ALA . . . . . 0.854 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -58.63 108.06 0.59 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.216 -0.927 . . . . 0.0 110.302 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 665' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 114.89 25.82 3.78 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 666' ' ' GLN . . . . . 0.567 ' CB ' ' HB2' ' A' ' 677' ' ' CYS . 1.4 mm-40 -90.5 -179.26 5.53 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.133 -1.216 . . . . 0.0 110.043 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.91 127.1 22.65 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.276 -0.89 . . . . 0.0 110.67 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 668' ' ' VAL . . . . . 0.496 ' CG2' ' HB2' ' A' ' 675' ' ' TYR . 2.5 m -137.01 156.91 35.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.234 -0.916 . . . . 0.0 109.976 179.514 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 669' ' ' THR . . . . . 0.45 ' HG1' ' N ' ' A' ' 655' ' ' ALA . 53.3 p -140.42 124.66 17.66 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.123 -0.986 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 670' ' ' TYR . . . . . 0.573 ' CZ ' ' HA ' ' A' ' 688' ' ' GLU . 76.7 m-85 -84.63 -174.07 5.07 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.195 -0.94 . . . . 0.0 110.364 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 671' ' ' ASN . . . . . 0.472 ' C ' ' O ' ' A' ' 670' ' ' TYR . 1.9 p-10 -31.15 -35.87 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.896 -0.502 . . . . 0.0 111.5 -179.436 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 672' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 670' ' ' TYR . . . -167.44 41.97 0.24 Allowed Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 673' ' ' LYS . . . . . 0.459 ' HB2' ' HB2' ' A' ' 670' ' ' TYR . 38.2 mmtt -134.57 149.36 50.61 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.242 -1.152 . . . . 0.0 110.504 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 674' ' ' THR . . . . . 0.476 ' HB ' ' HG3' ' A' ' 699' ' ' GLN . 87.7 m -108.31 130.18 55.2 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.38 -0.825 . . . . 0.0 110.022 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 675' ' ' TYR . . . . . 0.623 ' CE1' ' CB ' ' A' ' 690' ' ' SER . 49.1 m-85 -132.96 158.62 42.21 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.334 -0.854 . . . . 0.0 110.815 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 676' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 697' ' ' GLN . 0.4 OUTLIER -134.62 99.51 4.36 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.419 -0.8 . . . . 0.0 109.96 179.73 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 677' ' ' CYS . . . . . 0.567 ' HB2' ' CB ' ' A' ' 666' ' ' GLN . 0.5 OUTLIER -50.98 134.75 25.73 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.286 -0.884 . . . . 0.0 109.88 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.05 1.08 9.76 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.087 -1.008 . . . . 0.0 110.953 -179.402 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 679' ' ' GLN . . . . . 0.476 ' HA ' ' HB2' ' A' ' 664' ' ' ALA . 5.5 mt-30 -150.82 148.0 22.21 Favored Pre-proline 0 N--CA 1.493 1.712 0 O-C-N 120.921 -1.112 . . . . 0.0 110.754 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 680' ' ' PRO . . . . . 0.854 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.0 Cg_exo -61.61 99.54 0.18 Allowed 'Trans proline' 0 C--N 1.315 -1.231 0 O-C-N 123.684 1.36 . . . . 0.0 110.462 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 681' ' ' HIS . . . . . 0.464 ' CD2' HD22 ' A' ' 695' ' ' LEU . 34.4 m-70 -147.04 165.35 30.16 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.244 -0.91 . . . . 0.0 110.328 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 682' ' ' THR . . . . . 0.447 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 42.9 m -104.6 135.97 45.01 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.306 -0.871 . . . . 0.0 110.494 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 12.0 p -89.94 145.86 24.81 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.271 -0.893 . . . . 0.0 109.849 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 684' ' ' LEU . . . . . 0.659 ' H ' HD23 ' A' ' 684' ' ' LEU . 1.2 pt? -158.39 179.56 9.03 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.239 -0.913 . . . . 0.0 110.382 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -60.42 78.66 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.41 -0.806 . . . . 0.0 109.99 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 686' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 171.65 -42.97 0.18 Allowed Glycine 0 N--CA 1.489 2.183 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 687' ' ' TRP . . . . . 0.447 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 46.2 m0 -89.46 37.72 0.88 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.24 -1.153 . . . . 0.0 109.951 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 688' ' ' GLU . . . . . 0.605 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.3 mt-10 -88.24 -47.84 0.45 Allowed Pre-proline 0 N--CA 1.496 1.866 0 O-C-N 121.287 -0.883 . . . . 0.0 110.511 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 689' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.7 Cg_endo -69.26 -4.23 13.27 Favored 'Trans proline' 0 C--N 1.315 -1.203 0 O-C-N 123.244 1.129 . . . . 0.0 110.191 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 690' ' ' SER . . . . . 0.623 ' CB ' ' CE1' ' A' ' 675' ' ' TYR . 1.7 p 62.89 57.7 1.65 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.397 -0.814 . . . . 0.0 109.717 -179.579 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -79.18 -4.41 50.37 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.319 -0.863 . . . . 0.0 110.668 -179.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 692' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 692' ' ' VAL . 17.8 m -120.78 88.0 43.27 Favored Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.052 -1.03 . . . . 0.0 110.469 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.5 -25.21 79.33 Favored 'Trans proline' 0 C--N 1.31 -1.459 0 O-C-N 123.521 1.274 . . . . 0.0 110.399 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -46.33 -30.63 2.16 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.294 -0.879 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 695' ' ' LEU . . . . . 0.584 ' C ' HD12 ' A' ' 695' ' ' LEU . 4.2 pp -130.34 -4.09 4.34 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.206 -0.934 . . . . 0.0 110.541 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 696' ' ' TRP . . . . . 0.501 ' HA ' ' CE3' ' A' ' 696' ' ' TRP . 1.2 m95 -108.64 99.84 9.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.108 -0.995 . . . . 0.0 110.687 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 697' ' ' GLN . . . . . 0.483 ' O ' ' HB2' ' A' ' 676' ' ' LYS . 6.0 tt0 -99.62 93.18 5.71 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.241 -0.912 . . . . 0.0 109.132 179.116 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 698' ' ' LEU . . . . . 0.832 HD12 ' N ' ' A' ' 699' ' ' GLN . 0.5 OUTLIER -96.0 -176.24 3.64 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.282 -0.886 . . . . 0.0 111.03 -178.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 699' ' ' GLN . . . . . 0.832 ' N ' HD12 ' A' ' 698' ' ' LEU . 2.0 pt20 . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.522 -0.736 . . . . 0.0 110.265 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 655' ' ' ALA . . . . . 0.45 ' HA ' ' OG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.156 0.503 . . . . 0.0 110.327 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 656' ' ' TRP . . . . . 0.531 ' CD1' ' OH ' ' A' ' 670' ' ' TYR . 36.8 t90 -87.67 149.32 24.34 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.332 -0.855 . . . . 0.0 110.146 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -136.72 144.55 43.92 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.195 -0.941 . . . . 0.0 110.111 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 658' ' ' VAL . . . . . 0.435 HG12 ' H ' ' A' ' 658' ' ' VAL . 7.4 p -80.03 155.85 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.143 -0.973 . . . . 0.0 110.259 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 57.49 54.17 6.76 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.278 -0.889 . . . . 0.0 110.196 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 660' ' ' THR . . . . . 0.532 HG22 ' N ' ' A' ' 661' ' ' ALA . 58.7 m -140.22 167.54 21.91 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.101 -1.0 . . . . 0.0 110.886 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 661' ' ' ALA . . . . . 0.532 ' N ' HG22 ' A' ' 660' ' ' THR . . . -113.98 124.74 52.89 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.436 -0.79 . . . . 0.0 109.777 179.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 662' ' ' TYR . . . . . 0.494 ' O ' ' HA ' ' A' ' 680' ' ' PRO . 7.8 m-85 -113.42 151.98 30.66 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.141 -0.974 . . . . 0.0 110.631 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 6.1 p -100.19 154.27 18.58 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.301 -0.874 . . . . 0.0 109.72 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 664' ' ' ALA . . . . . 0.878 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -48.8 135.44 15.19 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.272 -0.893 . . . . 0.0 110.287 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 665' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 77.47 36.0 35.33 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 666' ' ' GLN . . . . . 0.525 ' HB2' ' CB ' ' A' ' 677' ' ' CYS . 0.0 OUTLIER -89.83 169.56 11.15 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.179 -1.189 . . . . 0.0 110.14 179.864 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 667' ' ' LEU . . . . . 0.748 HD13 ' C ' ' A' ' 667' ' ' LEU . 3.3 tm? -129.17 117.26 20.48 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.192 -0.942 . . . . 0.0 110.519 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 668' ' ' VAL . . . . . 0.49 ' N ' HD13 ' A' ' 667' ' ' LEU . 2.0 m -133.66 155.18 39.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.202 -0.936 . . . . 0.0 109.93 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 669' ' ' THR . . . . . 0.45 ' OG1' ' HA ' ' A' ' 655' ' ' ALA . 40.1 p -138.01 132.5 32.32 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.095 -1.003 . . . . 0.0 110.418 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 670' ' ' TYR . . . . . 0.599 ' CE2' ' HA ' ' A' ' 688' ' ' GLU . 58.0 m-85 -92.61 -173.09 3.25 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.254 -0.904 . . . . 0.0 110.1 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 671' ' ' ASN . . . . . 0.48 ' C ' ' O ' ' A' ' 670' ' ' TYR . 1.8 m120 -32.09 -37.93 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.836 -0.54 . . . . 0.0 111.315 -179.561 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 672' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 670' ' ' TYR . . . -162.76 38.77 0.35 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 673' ' ' LYS . . . . . 0.472 ' HB3' ' CE2' ' A' ' 675' ' ' TYR . 52.6 mttt -133.77 161.25 35.22 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.131 -1.217 . . . . 0.0 110.677 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 674' ' ' THR . . . . . . . . . . . . . 80.0 m -126.7 127.73 45.58 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.437 -0.789 . . . . 0.0 109.677 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 675' ' ' TYR . . . . . 0.614 ' CE1' ' CB ' ' A' ' 698' ' ' LEU . 93.1 m-85 -130.32 167.55 18.33 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.177 -0.952 . . . . 0.0 111.13 -179.428 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 676' ' ' LYS . . . . . 0.507 ' HD2' HD23 ' A' ' 667' ' ' LEU . 0.0 OUTLIER -139.52 102.47 4.47 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.653 -0.654 . . . . 0.0 109.986 -179.697 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 677' ' ' CYS . . . . . 0.525 ' CB ' ' HB2' ' A' ' 666' ' ' GLN . 0.1 OUTLIER -52.6 142.41 18.21 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.14 -0.975 . . . . 0.0 110.246 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.421 ' O ' ' HB1' ' A' ' 664' ' ' ALA . 0.3 OUTLIER -110.76 -29.0 8.17 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.387 -0.821 . . . . 0.0 110.148 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 679' ' ' GLN . . . . . 0.544 ' HB3' ' NE2' ' A' ' 681' ' ' HIS . 20.3 mt-30 -133.0 148.62 70.14 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.222 -0.924 . . . . 0.0 110.019 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 680' ' ' PRO . . . . . 0.878 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.0 Cg_exo -59.77 102.31 0.17 Allowed 'Trans proline' 0 C--N 1.311 -1.413 0 O-C-N 123.59 1.31 . . . . 0.0 110.336 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 681' ' ' HIS . . . . . 0.544 ' NE2' ' HB3' ' A' ' 679' ' ' GLN . 22.0 m-70 -136.95 -167.04 2.01 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.16 -0.962 . . . . 0.0 110.485 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 682' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 660' ' ' THR . 96.8 m -126.37 128.4 47.0 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.318 -0.864 . . . . 0.0 110.412 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.9 140.81 33.87 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.34 -0.85 . . . . 0.0 109.864 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 684' ' ' LEU . . . . . 0.707 ' H ' HD23 ' A' ' 684' ' ' LEU . 1.2 pt? -148.97 177.84 9.21 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.205 -0.934 . . . . 0.0 110.686 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -62.45 73.99 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.436 -0.79 . . . . 0.0 110.162 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 686' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 177.67 -39.59 0.09 OUTLIER Glycine 0 N--CA 1.489 2.173 0 N-CA-C 109.169 -1.572 . . . . 0.0 109.169 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 687' ' ' TRP . . . . . 0.401 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 48.0 m0 -89.6 38.82 0.92 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.344 -1.092 . . . . 0.0 109.796 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 688' ' ' GLU . . . . . 0.599 ' HA ' ' CE2' ' A' ' 670' ' ' TYR . 1.6 mt-10 -89.56 -48.98 0.39 Allowed Pre-proline 0 N--CA 1.494 1.762 0 O-C-N 121.237 -0.915 . . . . 0.0 110.516 -179.679 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 689' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.7 Cg_endo -69.71 -5.74 16.9 Favored 'Trans proline' 0 C--N 1.312 -1.348 0 O-C-N 123.299 1.157 . . . . 0.0 109.99 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 690' ' ' SER . . . . . 0.563 ' CB ' ' CE1' ' A' ' 675' ' ' TYR . 1.7 p 61.11 49.5 5.58 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.319 -0.863 . . . . 0.0 109.818 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 691' ' ' ASN . . . . . 0.741 ' OD1' HG13 ' A' ' 692' ' ' VAL . 13.5 p30 -83.48 15.56 3.01 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.361 -0.837 . . . . 0.0 110.439 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 692' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 692' ' ' VAL . 19.7 m -137.28 81.58 31.12 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.287 -0.883 . . . . 0.0 110.06 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 693' ' ' PRO . . . . . 0.454 ' HA ' ' O ' ' A' ' 696' ' ' TRP . 3.1 Cg_exo -59.54 -18.99 49.99 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.674 1.355 . . . . 0.0 110.498 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 694' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 693' ' ' PRO . . . -44.53 -35.07 2.34 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.283 -0.886 . . . . 0.0 109.843 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 695' ' ' LEU . . . . . 0.751 ' C ' HD12 ' A' ' 695' ' ' LEU . 3.1 pp -134.52 -3.24 2.67 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.374 -0.829 . . . . 0.0 110.552 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 696' ' ' TRP . . . . . 0.746 ' N ' HD12 ' A' ' 695' ' ' LEU . 1.7 m95 -116.42 105.71 12.81 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.035 -1.041 . . . . 0.0 110.345 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -103.18 105.95 16.36 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.205 -0.934 . . . . 0.0 109.648 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 698' ' ' LEU . . . . . 0.994 HD12 ' N ' ' A' ' 699' ' ' GLN . 0.4 OUTLIER -94.05 175.95 6.51 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.08 -1.012 . . . . 0.0 111.049 -179.203 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 699' ' ' GLN . . . . . 0.994 ' N ' HD12 ' A' ' 698' ' ' LEU . 15.1 pt20 . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.468 -0.77 . . . . 0.0 110.216 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 655' ' ' ALA . . . . . 0.45 ' HA ' ' OG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.281 0.562 . . . . 0.0 110.239 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 656' ' ' TRP . . . . . 0.453 ' CH2' ' HB ' ' A' ' 658' ' ' VAL . 88.2 t90 -86.47 153.61 21.74 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.116 -0.99 . . . . 0.0 110.251 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 657' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 656' ' ' TRP . 29.3 mt-30 -149.92 115.62 5.57 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.269 -0.894 . . . . 0.0 109.851 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 658' ' ' VAL . . . . . 0.453 ' HB ' ' CH2' ' A' ' 656' ' ' TRP . 12.1 p -48.04 155.79 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.315 -0.865 . . . . 0.0 110.561 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 51.41 59.61 4.46 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.49 -0.756 . . . . 0.0 110.453 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 660' ' ' THR . . . . . 0.639 ' CG2' ' CE1' ' A' ' 662' ' ' TYR . 84.3 m -140.35 138.37 34.81 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.159 -0.963 . . . . 0.0 110.227 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -87.36 128.07 35.2 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.243 -0.911 . . . . 0.0 110.095 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 662' ' ' TYR . . . . . 0.639 ' CE1' ' CG2' ' A' ' 660' ' ' THR . 20.5 m-85 -119.64 150.82 39.7 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.221 -0.924 . . . . 0.0 110.454 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 21.7 p -103.61 149.03 25.3 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.354 -0.841 . . . . 0.0 109.788 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 664' ' ' ALA . . . . . 1.01 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -49.84 127.45 16.22 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.133 -0.979 . . . . 0.0 110.284 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 99.37 18.14 24.69 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.72 -1.352 . . . . 0.0 109.72 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.34 -179.03 5.76 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.251 -1.146 . . . . 0.0 110.026 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 667' ' ' LEU . . . . . 0.638 HD23 ' C ' ' A' ' 667' ' ' LEU . 4.4 tt -151.1 116.32 5.33 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.188 -0.945 . . . . 0.0 110.242 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 668' ' ' VAL . . . . . 0.573 ' N ' HD23 ' A' ' 667' ' ' LEU . 4.4 m -116.68 163.97 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.245 -0.909 . . . . 0.0 110.1 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 669' ' ' THR . . . . . 0.479 ' HA ' ' O ' ' A' ' 673' ' ' LYS . 62.6 p -140.03 125.78 19.39 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.173 -0.954 . . . . 0.0 110.318 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 670' ' ' TYR . . . . . 0.53 ' CZ ' ' O ' ' A' ' 688' ' ' GLU . 97.4 m-85 -88.63 -172.14 3.62 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.222 -0.924 . . . . 0.0 110.214 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 671' ' ' ASN . . . . . 0.495 ' C ' ' O ' ' A' ' 670' ' ' TYR . 3.0 t-20 -29.6 -38.42 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.997 0 CA-C-O 121.219 0.533 . . . . 0.0 111.397 -179.556 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 672' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 670' ' ' TYR . . . -166.81 44.35 0.26 Allowed Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.419 -1.473 . . . . 0.0 109.419 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 673' ' ' LYS . . . . . 0.479 ' O ' ' HA ' ' A' ' 669' ' ' THR . 11.1 mmtp -137.61 152.93 49.89 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.209 -1.171 . . . . 0.0 110.636 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 674' ' ' THR . . . . . 0.486 ' O ' ' HA ' ' A' ' 698' ' ' LEU . 7.2 m -112.45 133.9 54.27 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.456 -0.778 . . . . 0.0 110.028 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 675' ' ' TYR . . . . . 0.615 ' CE1' ' HB3' ' A' ' 698' ' ' LEU . 67.5 m-85 -136.99 158.55 44.2 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.373 -0.829 . . . . 0.0 110.54 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 676' ' ' LYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 697' ' ' GLN . 0.1 OUTLIER -133.86 105.27 6.68 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.511 -0.743 . . . . 0.0 110.099 -179.853 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 677' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 695' ' ' LEU . 0.1 OUTLIER -60.38 132.97 55.57 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.218 -0.926 . . . . 0.0 110.192 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.69 3.1 14.65 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.21 -0.931 . . . . 0.0 110.371 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 679' ' ' GLN . . . . . 0.548 ' HB3' ' CD2' ' A' ' 681' ' ' HIS . 9.4 mt-30 -148.35 138.82 13.12 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.128 -0.983 . . . . 0.0 110.434 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 680' ' ' PRO . . . . . 1.01 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 2.9 Cg_endo -62.32 99.36 0.2 Allowed 'Trans proline' 0 C--N 1.314 -1.26 0 O-C-N 123.498 1.262 . . . . 0.0 110.445 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 681' ' ' HIS . . . . . 0.548 ' CD2' ' HB3' ' A' ' 679' ' ' GLN . 29.8 m-70 -142.73 -179.66 6.46 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.162 -0.961 . . . . 0.0 110.212 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 78.4 m -115.24 129.39 56.62 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.246 -0.909 . . . . 0.0 110.307 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.25 146.86 28.33 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.223 -0.923 . . . . 0.0 110.199 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 684' ' ' LEU . . . . . 0.723 ' H ' HD23 ' A' ' 684' ' ' LEU . 1.2 pt? -154.81 -178.59 7.32 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.412 -0.805 . . . . 0.0 110.16 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -58.26 81.43 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.355 -0.84 . . . . 0.0 110.091 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 686' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 164.96 -45.31 0.29 Allowed Glycine 0 N--CA 1.488 2.131 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 45.9 m0 -86.57 30.48 0.72 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.084 -1.245 . . . . 0.0 110.312 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 688' ' ' GLU . . . . . 0.618 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.1 mt-10 -85.86 -47.68 0.57 Allowed Pre-proline 0 N--CA 1.496 1.83 0 O-C-N 121.137 -0.977 . . . . 0.0 110.254 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 689' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.6 Cg_endo -69.53 -3.97 12.93 Favored 'Trans proline' 0 C--N 1.315 -1.2 0 O-C-N 123.272 1.143 . . . . 0.0 110.386 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 690' ' ' SER . . . . . 0.509 ' CB ' ' CE1' ' A' ' 675' ' ' TYR . 1.2 p 71.06 59.41 0.18 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.29 -0.881 . . . . 0.0 109.757 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -80.18 1.11 29.54 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.218 -0.926 . . . . 0.0 111.179 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 692' ' ' VAL . . . . . 0.597 HG21 HD21 ' A' ' 695' ' ' LEU . 9.1 m -132.61 87.77 40.63 Favored Pre-proline 0 N--CA 1.494 1.729 0 O-C-N 121.011 -1.056 . . . . 0.0 110.231 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -59.5 -34.75 97.02 Favored 'Trans proline' 0 C--N 1.31 -1.45 0 O-C-N 123.79 1.416 . . . . 0.0 110.516 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -44.87 -26.8 0.45 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.19 -0.944 . . . . 0.0 109.893 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 695' ' ' LEU . . . . . 0.647 ' C ' HD12 ' A' ' 695' ' ' LEU . 4.6 pp -129.59 -1.3 4.9 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.365 -0.835 . . . . 0.0 110.125 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 696' ' ' TRP . . . . . 0.527 ' CD1' HD11 ' A' ' 695' ' ' LEU . 0.9 OUTLIER -119.45 98.24 6.04 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.222 -0.924 . . . . 0.0 110.045 179.552 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 697' ' ' GLN . . . . . 0.422 ' O ' ' HB2' ' A' ' 676' ' ' LYS . 24.2 tp60 -99.33 98.38 9.33 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.059 -1.026 . . . . 0.0 109.394 179.575 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 698' ' ' LEU . . . . . 1.024 HD12 ' N ' ' A' ' 699' ' ' GLN . 0.8 OUTLIER -91.33 175.4 6.94 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.228 -0.92 . . . . 0.0 111.281 -179.01 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 699' ' ' GLN . . . . . 1.024 ' N ' HD12 ' A' ' 698' ' ' LEU . 2.4 pt20 . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.641 -0.662 . . . . 0.0 110.208 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 655' ' ' ALA . . . . . 0.43 ' HA ' ' OG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.221 0.534 . . . . 0.0 110.156 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 656' ' ' TRP . . . . . 0.613 ' CD2' ' CE2' ' A' ' 670' ' ' TYR . 77.6 t90 -55.56 135.09 51.14 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.233 -0.917 . . . . 0.0 110.279 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -123.54 135.43 54.01 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.262 -0.899 . . . . 0.0 110.18 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 658' ' ' VAL . . . . . . . . . . . . . 14.5 p -76.4 158.54 5.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.265 -0.897 . . . . 0.0 110.213 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 27.1 t30 53.84 57.59 5.89 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.285 -0.884 . . . . 0.0 110.136 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 660' ' ' THR . . . . . 0.746 ' O ' HG23 ' A' ' 682' ' ' THR . 62.2 m -138.05 169.35 17.95 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.305 -0.872 . . . . 0.0 110.38 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 661' ' ' ALA . . . . . 0.51 ' N ' HG22 ' A' ' 660' ' ' THR . . . -112.03 115.34 28.75 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.29 -0.881 . . . . 0.0 110.251 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 662' ' ' TYR . . . . . 0.475 ' HE2' ' HG ' ' A' ' 683' ' ' SER . 20.0 m-85 -109.26 155.14 21.49 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.272 -0.892 . . . . 0.0 110.065 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.64 -167.31 1.45 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.227 -0.92 . . . . 0.0 110.368 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 664' ' ' ALA . . . . . 0.852 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -90.32 63.74 5.78 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.244 -0.91 . . . . 0.0 110.518 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 665' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 155.89 36.79 0.02 OUTLIER Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.72 -1.352 . . . . 0.0 109.72 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 666' ' ' GLN . . . . . 0.481 ' HB2' ' CB ' ' A' ' 677' ' ' CYS . 1.0 OUTLIER -90.66 -177.18 4.94 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.175 -1.191 . . . . 0.0 110.361 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 48.6 mt -143.64 91.98 2.3 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.277 -0.889 . . . . 0.0 110.189 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 668' ' ' VAL . . . . . . . . . . . . . 2.8 m -100.55 168.7 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.297 -0.877 . . . . 0.0 110.224 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 669' ' ' THR . . . . . 0.516 ' HA ' ' O ' ' A' ' 673' ' ' LYS . 24.0 p -140.91 117.07 10.59 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.134 -0.979 . . . . 0.0 109.901 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 670' ' ' TYR . . . . . 0.613 ' CE2' ' CD2' ' A' ' 656' ' ' TRP . 89.4 m-85 -84.29 96.37 9.0 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.944 -1.097 . . . . 0.0 110.225 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 671' ' ' ASN . . . . . 0.457 ' HB2' ' O ' ' A' ' 670' ' ' TYR . 2.0 m-80 57.99 -82.21 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.369 -0.832 . . . . 0.0 109.997 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 672' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 670' ' ' TYR . . . -126.2 32.27 3.81 Favored Glycine 0 N--CA 1.489 2.176 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 673' ' ' LYS . . . . . 0.516 ' O ' ' HA ' ' A' ' 669' ' ' THR . 3.9 mttt -124.95 148.02 48.59 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.143 -1.21 . . . . 0.0 110.239 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 674' ' ' THR . . . . . 0.491 ' O ' ' HB2' ' A' ' 698' ' ' LEU . 95.5 m -106.72 121.3 44.08 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.348 -0.845 . . . . 0.0 110.362 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 675' ' ' TYR . . . . . 0.59 ' CE2' ' HB3' ' A' ' 698' ' ' LEU . 25.9 m-85 -130.28 160.52 33.65 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.275 -0.89 . . . . 0.0 110.529 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 676' ' ' LYS . . . . . 0.751 ' HE2' HD21 ' A' ' 678' ' ' LEU . 0.2 OUTLIER -140.44 131.9 26.93 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.334 -0.854 . . . . 0.0 109.76 179.352 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 677' ' ' CYS . . . . . 0.52 ' O ' ' N ' ' A' ' 665' ' ' GLY . 0.5 OUTLIER -75.76 136.75 40.29 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.22 -0.925 . . . . 0.0 110.141 -179.754 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.751 HD21 ' HE2' ' A' ' 676' ' ' LYS . 0.8 OUTLIER -117.33 -5.24 11.3 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.284 -0.885 . . . . 0.0 110.136 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 679' ' ' GLN . . . . . 0.445 ' N ' ' HA ' ' A' ' 664' ' ' ALA . 4.0 tt0 -142.94 143.42 25.16 Favored Pre-proline 0 N--CA 1.492 1.671 0 O-C-N 121.239 -0.913 . . . . 0.0 110.162 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 680' ' ' PRO . . . . . 0.852 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 2.9 Cg_endo -61.79 101.36 0.22 Allowed 'Trans proline' 0 C--N 1.313 -1.29 0 O-C-N 123.5 1.263 . . . . 0.0 110.589 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 681' ' ' HIS . . . . . 0.719 ' CD2' ' O ' ' A' ' 680' ' ' PRO . 32.1 m170 -144.86 -169.3 3.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.189 -0.944 . . . . 0.0 110.26 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 682' ' ' THR . . . . . 0.746 HG23 ' O ' ' A' ' 660' ' ' THR . 33.9 m -131.07 127.05 37.42 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.319 -0.863 . . . . 0.0 110.207 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 683' ' ' SER . . . . . 0.475 ' HG ' ' HE2' ' A' ' 662' ' ' TYR . 28.9 m -71.74 146.72 47.95 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.248 -0.908 . . . . 0.0 110.235 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 684' ' ' LEU . . . . . 0.552 ' H ' HD23 ' A' ' 684' ' ' LEU . 1.1 pt? -150.24 173.96 13.36 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.166 -0.959 . . . . 0.0 110.38 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -63.69 72.16 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.231 -0.918 . . . . 0.0 110.308 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 686' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 177.36 -31.99 0.08 OUTLIER Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -88.64 39.34 0.91 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.22 -1.165 . . . . 0.0 110.379 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 688' ' ' GLU . . . . . 0.577 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.7 mt-10 -89.34 -49.0 0.4 Allowed Pre-proline 0 N--CA 1.493 1.713 0 O-C-N 121.161 -0.962 . . . . 0.0 110.523 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 689' ' ' PRO . . . . . 0.577 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.3 Cg_endo -71.32 -2.56 11.41 Favored 'Trans proline' 0 C--N 1.315 -1.231 0 O-C-N 123.16 1.084 . . . . 0.0 110.38 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 690' ' ' SER . . . . . 0.487 ' O ' ' OG ' ' A' ' 690' ' ' SER . 1.4 p 69.9 62.04 0.25 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.446 -0.784 . . . . 0.0 109.808 -179.252 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -79.41 1.83 23.98 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.21 -0.932 . . . . 0.0 110.735 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 692' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 692' ' ' VAL . 29.3 m -135.17 77.23 55.65 Favored Pre-proline 0 N--CA 1.494 1.729 0 O-C-N 121.14 -0.975 . . . . 0.0 110.032 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -59.78 -26.28 81.77 Favored 'Trans proline' 0 C--N 1.311 -1.406 0 O-C-N 123.691 1.364 . . . . 0.0 110.732 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -51.34 -25.28 5.74 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.186 -0.946 . . . . 0.0 110.034 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 695' ' ' LEU . . . . . 0.901 HD12 ' N ' ' A' ' 696' ' ' TRP . 4.0 pp -128.08 -16.93 4.45 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.298 -0.877 . . . . 0.0 110.643 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 696' ' ' TRP . . . . . 0.901 ' N ' HD12 ' A' ' 695' ' ' LEU . 0.3 OUTLIER -104.15 94.0 5.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.032 -1.043 . . . . 0.0 110.156 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 697' ' ' GLN . . . . . 0.481 ' HB3' ' HG2' ' A' ' 676' ' ' LYS . 2.4 tp60 -99.81 113.23 25.6 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.17 -0.956 . . . . 0.0 109.891 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 698' ' ' LEU . . . . . 0.758 HD12 ' N ' ' A' ' 699' ' ' GLN . 1.1 pp -104.32 -169.99 1.7 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.157 -0.965 . . . . 0.0 110.698 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 699' ' ' GLN . . . . . 0.758 ' N ' HD12 ' A' ' 698' ' ' LEU . 5.8 pt20 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.379 -0.825 . . . . 0.0 110.082 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 655' ' ' ALA . . . . . 0.448 ' HA ' ' OG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.256 0.55 . . . . 0.0 110.248 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 656' ' ' TRP . . . . . 0.686 ' CD2' ' CE2' ' A' ' 670' ' ' TYR . 73.6 t90 -60.86 145.24 50.79 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.216 -0.928 . . . . 0.0 110.23 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -137.67 133.23 34.01 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.22 -0.925 . . . . 0.0 110.233 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 658' ' ' VAL . . . . . 0.447 ' O ' ' HB2' ' A' ' 659' ' ' ASN . 17.5 m -60.64 154.3 4.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.246 -0.909 . . . . 0.0 110.301 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 659' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' A' ' 658' ' ' VAL . 12.1 m120 56.55 55.67 6.26 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.303 -0.873 . . . . 0.0 110.211 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 660' ' ' THR . . . . . 0.425 ' O ' ' OG ' ' A' ' 683' ' ' SER . 89.5 m -139.78 124.49 18.36 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.197 -0.939 . . . . 0.0 110.397 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -71.82 130.04 40.11 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.313 -0.867 . . . . 0.0 110.27 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 662' ' ' TYR . . . . . 0.436 ' CD2' ' OG ' ' A' ' 683' ' ' SER . 10.8 m-85 -122.23 166.07 15.2 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.194 -0.941 . . . . 0.0 109.881 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.82 -167.47 1.19 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.183 -0.948 . . . . 0.0 110.353 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 664' ' ' ALA . . . . . 0.849 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -86.91 127.92 35.06 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.335 -0.853 . . . . 0.0 110.409 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 81.46 38.46 14.55 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.792 -1.323 . . . . 0.0 109.792 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 666' ' ' GLN . . . . . 0.51 ' O ' ' HA ' ' A' ' 676' ' ' LYS . 0.0 OUTLIER -88.18 174.43 8.23 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.182 -1.187 . . . . 0.0 109.885 179.812 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -133.23 89.17 2.57 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.176 -0.952 . . . . 0.0 110.543 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 668' ' ' VAL . . . . . . . . . . . . . 3.0 m -100.01 167.92 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.178 -0.951 . . . . 0.0 109.696 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 669' ' ' THR . . . . . 0.502 ' HA ' ' O ' ' A' ' 673' ' ' LYS . 1.3 p -140.39 114.06 8.78 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.087 -1.008 . . . . 0.0 110.194 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 670' ' ' TYR . . . . . 0.686 ' CE2' ' CD2' ' A' ' 656' ' ' TRP . 77.0 m-85 -83.3 -159.45 0.35 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.257 -0.902 . . . . 0.0 109.86 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -46.3 93.81 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.113 -0.992 . . . . 0.0 109.725 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 672' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 670' ' ' TYR . . . 50.16 24.98 7.34 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.072 -1.611 . . . . 0.0 109.072 -179.428 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 673' ' ' LYS . . . . . 0.502 ' O ' ' HA ' ' A' ' 669' ' ' THR . 0.1 OUTLIER -109.26 142.46 40.08 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.354 -1.086 . . . . 0.0 110.571 -179.687 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 674' ' ' THR . . . . . . . . . . . . . 2.8 m -101.33 116.69 33.37 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.412 -0.805 . . . . 0.0 109.593 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 675' ' ' TYR . . . . . 0.6 ' CE2' ' HB3' ' A' ' 698' ' ' LEU . 19.1 m-85 -130.05 157.74 41.53 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.987 -1.071 . . . . 0.0 111.214 -179.129 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 676' ' ' LYS . . . . . 0.51 ' HA ' ' O ' ' A' ' 666' ' ' GLN . 0.0 OUTLIER -140.9 126.69 19.16 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.527 -0.733 . . . . 0.0 109.417 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.77 160.51 28.34 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.144 -0.973 . . . . 0.0 110.359 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.59 ' O ' ' HB1' ' A' ' 664' ' ' ALA . 0.9 OUTLIER -124.29 -28.84 3.62 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.24 -0.912 . . . . 0.0 110.692 -179.876 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 679' ' ' GLN . . . . . 0.546 ' HB3' ' NE2' ' A' ' 681' ' ' HIS . 42.8 mm-40 -126.74 146.44 57.12 Favored Pre-proline 0 N--CA 1.493 1.715 0 O-C-N 121.153 -0.967 . . . . 0.0 110.557 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 680' ' ' PRO . . . . . 0.849 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.0 Cg_exo -62.94 116.0 3.29 Favored 'Trans proline' 0 C--N 1.314 -1.263 0 O-C-N 123.632 1.333 . . . . 0.0 110.89 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 681' ' ' HIS . . . . . 0.546 ' NE2' ' HB3' ' A' ' 679' ' ' GLN . 89.2 m-70 -155.42 -156.58 0.66 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.232 -0.917 . . . . 0.0 110.258 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 682' ' ' THR . . . . . 0.571 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 20.6 m -131.4 127.84 38.34 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.22 -0.925 . . . . 0.0 110.299 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 683' ' ' SER . . . . . 0.447 ' HB2' ' CZ2' ' A' ' 656' ' ' TRP . 0.0 OUTLIER -85.24 138.93 32.02 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.32 -0.863 . . . . 0.0 109.762 179.63 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 684' ' ' LEU . . . . . 0.589 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.7 OUTLIER -141.77 -178.25 5.58 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.321 -0.862 . . . . 0.0 110.693 -179.716 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -64.4 74.91 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.362 -0.836 . . . . 0.0 110.229 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 686' ' ' GLY . . . . . 0.478 ' O ' ' HD2' ' A' ' 689' ' ' PRO . . . 174.72 -32.46 0.1 OUTLIER Glycine 0 N--CA 1.487 2.099 0 N-CA-C 109.44 -1.464 . . . . 0.0 109.44 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 687' ' ' TRP . . . . . 0.571 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 40.7 m0 -85.68 30.89 0.62 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.241 -1.152 . . . . 0.0 110.399 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 688' ' ' GLU . . . . . 0.614 ' HA ' ' CE2' ' A' ' 670' ' ' TYR . 2.6 mt-10 -87.38 -47.01 0.49 Allowed Pre-proline 0 N--CA 1.494 1.74 0 O-C-N 120.965 -1.085 . . . . 0.0 110.642 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 689' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.6 Cg_endo -70.65 -0.82 8.24 Favored 'Trans proline' 0 C--N 1.315 -1.215 0 O-C-N 123.173 1.091 . . . . 0.0 110.515 179.728 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 690' ' ' SER . . . . . 0.471 ' O ' ' OG ' ' A' ' 690' ' ' SER . 2.3 p 61.68 56.62 2.43 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.229 -0.919 . . . . 0.0 109.74 -179.412 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 691' ' ' ASN . . . . . 0.406 ' OD1' ' HB2' ' A' ' 689' ' ' PRO . 6.7 m-20 -79.72 4.05 17.45 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.22 -0.925 . . . . 0.0 110.501 -179.499 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 692' ' ' VAL . . . . . 0.72 HG23 HD11 ' A' ' 695' ' ' LEU . 18.2 m -138.06 82.53 24.7 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.066 -1.021 . . . . 0.0 110.47 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -60.89 -17.39 50.69 Favored 'Trans proline' 0 C--N 1.312 -1.375 0 O-C-N 123.628 1.331 . . . . 0.0 110.386 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -52.81 -35.95 57.76 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.265 -0.897 . . . . 0.0 109.931 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 695' ' ' LEU . . . . . 0.892 HD12 ' N ' ' A' ' 696' ' ' TRP . 1.3 pp -127.44 -4.49 6.03 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.307 -0.871 . . . . 0.0 110.057 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 696' ' ' TRP . . . . . 0.892 ' N ' HD12 ' A' ' 695' ' ' LEU . 1.1 m95 -116.44 89.63 3.15 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.19 -0.944 . . . . 0.0 110.358 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 697' ' ' GLN . . . . . 0.501 ' HB3' ' CD ' ' A' ' 676' ' ' LYS . 0.9 OUTLIER -99.17 113.21 25.34 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.153 -0.967 . . . . 0.0 109.422 179.61 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 698' ' ' LEU . . . . . 0.6 ' HB3' ' CE2' ' A' ' 675' ' ' TYR . 0.6 OUTLIER -91.5 177.54 6.2 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.24 -0.912 . . . . 0.0 110.852 -179.258 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 699' ' ' GLN . . . . . 0.487 ' HG2' ' O ' ' A' ' 698' ' ' LEU . 30.5 mt-30 . . . . . 0 N--CA 1.492 1.625 0 O-C-N 121.551 -0.718 . . . . 0.0 110.214 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 655' ' ' ALA . . . . . 0.522 ' HB1' ' O ' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.169 0.509 . . . . 0.0 110.207 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 656' ' ' TRP . . . . . 0.635 ' CD2' ' CE1' ' A' ' 670' ' ' TYR . 56.6 t90 -55.23 151.39 9.65 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.163 -0.961 . . . . 0.0 110.051 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -127.3 139.52 52.83 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.267 -0.896 . . . . 0.0 110.109 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 658' ' ' VAL . . . . . 0.459 ' HA ' ' CZ2' ' A' ' 656' ' ' TRP . 13.9 p -77.92 158.76 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.143 -0.973 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 50.68 56.07 8.54 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.27 -0.894 . . . . 0.0 109.998 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 660' ' ' THR . . . . . 0.416 HG22 ' N ' ' A' ' 661' ' ' ALA . 50.7 m -135.72 164.24 28.33 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.219 -0.925 . . . . 0.0 110.425 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 661' ' ' ALA . . . . . 0.416 ' N ' HG22 ' A' ' 660' ' ' THR . . . -106.12 115.52 30.37 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.302 -0.874 . . . . 0.0 110.086 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -111.68 154.18 25.33 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.175 -0.953 . . . . 0.0 110.368 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 1.3 p -102.13 178.69 4.53 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.283 -0.886 . . . . 0.0 109.996 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 664' ' ' ALA . . . . . 0.985 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -77.07 125.65 29.67 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.16 -0.962 . . . . 0.0 110.166 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 665' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 93.53 30.01 9.53 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 666' ' ' GLN . . . . . 0.548 ' CB ' ' HB2' ' A' ' 677' ' ' CYS . 0.9 OUTLIER -90.2 174.54 7.56 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.321 -1.106 . . . . 0.0 110.143 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 667' ' ' LEU . . . . . 0.445 HD23 ' C ' ' A' ' 667' ' ' LEU . 2.5 tt -132.74 102.96 5.87 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.267 -0.896 . . . . 0.0 110.286 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 668' ' ' VAL . . . . . 0.454 ' HB ' ' HB2' ' A' ' 656' ' ' TRP . 2.9 m -111.31 171.71 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.252 -0.905 . . . . 0.0 109.973 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 669' ' ' THR . . . . . 0.522 ' O ' ' HB1' ' A' ' 655' ' ' ALA . 1.4 p -140.63 124.06 16.86 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.135 -0.978 . . . . 0.0 109.877 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 670' ' ' TYR . . . . . 0.635 ' CE1' ' CD2' ' A' ' 656' ' ' TRP . 27.0 m-85 -99.03 93.92 6.25 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.027 -1.045 . . . . 0.0 110.923 -179.446 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 2.4 m120 42.76 82.62 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.261 -0.9 . . . . 0.0 111.012 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . 73.02 -0.38 46.67 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 673' ' ' LYS . . . . . 0.502 ' O ' ' HA ' ' A' ' 669' ' ' THR . 22.8 mmtt -104.1 149.47 25.18 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.941 -1.329 . . . . 0.0 110.385 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 674' ' ' THR . . . . . 0.76 ' O ' HD12 ' A' ' 698' ' ' LEU . 52.2 m -115.26 115.63 26.98 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.225 -0.922 . . . . 0.0 110.276 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 675' ' ' TYR . . . . . 0.882 ' CZ ' HD13 ' A' ' 698' ' ' LEU . 28.6 m-85 -124.22 167.15 14.68 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.288 -0.882 . . . . 0.0 110.224 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 676' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 697' ' ' GLN . 1.7 mptt -140.08 124.73 18.18 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.26 -0.9 . . . . 0.0 110.064 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 677' ' ' CYS . . . . . 0.548 ' HB2' ' CB ' ' A' ' 666' ' ' GLN . 0.1 OUTLIER -67.18 142.46 57.0 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.255 -0.903 . . . . 0.0 110.341 -179.765 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.702 ' O ' HD23 ' A' ' 678' ' ' LEU . 2.1 tt -116.21 -23.45 8.41 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.264 -0.897 . . . . 0.0 110.268 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 679' ' ' GLN . . . . . 0.51 ' NE2' ' O ' ' A' ' 694' ' ' ALA . 60.1 mt-30 -132.16 142.09 43.79 Favored Pre-proline 0 N--CA 1.492 1.636 0 O-C-N 121.189 -0.944 . . . . 0.0 110.423 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 680' ' ' PRO . . . . . 0.985 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 2.8 Cg_endo -64.36 104.15 0.5 Allowed 'Trans proline' 0 C--N 1.313 -1.308 0 O-C-N 123.57 1.3 . . . . 0.0 110.463 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 681' ' ' HIS . . . . . 0.512 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 19.1 m-70 -149.38 -163.17 1.72 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.31 -0.869 . . . . 0.0 110.301 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 98.5 m -119.02 135.22 54.74 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.22 -0.925 . . . . 0.0 110.586 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 5.9 p -87.51 139.03 30.96 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.243 -0.911 . . . . 0.0 109.582 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 684' ' ' LEU . . . . . 0.79 ' H ' HD23 ' A' ' 684' ' ' LEU . 1.8 pt? -147.74 172.06 14.69 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.19 -0.944 . . . . 0.0 111.001 -179.555 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -60.51 77.38 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.504 -0.747 . . . . 0.0 109.973 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 686' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 175.55 -43.44 0.12 Allowed Glycine 0 N--CA 1.487 2.074 0 N-CA-C 108.424 -1.87 . . . . 0.0 108.424 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 44.7 m0 -87.97 32.58 0.74 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.35 -1.088 . . . . 0.0 109.918 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 688' ' ' GLU . . . . . 0.616 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.6 mt-10 -88.56 -46.38 0.45 Allowed Pre-proline 0 N--CA 1.495 1.803 0 O-C-N 121.38 -0.825 . . . . 0.0 111.041 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 689' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.9 Cg_endo -68.1 -6.31 16.88 Favored 'Trans proline' 0 C--N 1.315 -1.204 0 O-C-N 123.239 1.126 . . . . 0.0 110.242 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 690' ' ' SER . . . . . 0.574 ' CB ' ' CE1' ' A' ' 675' ' ' TYR . 1.2 p 67.03 41.39 2.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.392 -0.818 . . . . 0.0 110.044 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 691' ' ' ASN . . . . . 0.844 ' OD1' HG13 ' A' ' 692' ' ' VAL . 19.0 p30 -79.7 4.95 14.64 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.224 -0.923 . . . . 0.0 110.166 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 692' ' ' VAL . . . . . 0.844 HG13 ' OD1' ' A' ' 691' ' ' ASN . 16.8 m -125.18 78.88 66.6 Favored Pre-proline 0 N--CA 1.491 1.625 0 O-C-N 121.229 -0.92 . . . . 0.0 110.275 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -60.41 -16.4 41.43 Favored 'Trans proline' 0 C--N 1.311 -1.429 0 O-C-N 123.616 1.324 . . . . 0.0 110.554 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 694' ' ' ALA . . . . . 0.51 ' O ' ' NE2' ' A' ' 679' ' ' GLN . . . -56.46 -35.56 68.05 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.207 -0.933 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 695' ' ' LEU . . . . . 1.059 ' O ' HD22 ' A' ' 695' ' ' LEU . 0.0 OUTLIER -122.38 -10.9 8.41 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.291 -0.881 . . . . 0.0 110.318 -179.727 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 696' ' ' TRP . . . . . 1.044 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.2 OUTLIER -99.48 145.9 26.95 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.136 -0.977 . . . . 0.0 110.44 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 697' ' ' GLN . . . . . 0.481 ' O ' ' HB2' ' A' ' 676' ' ' LYS . 8.8 tt0 -134.48 82.2 1.95 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.414 -0.804 . . . . 0.0 109.718 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 698' ' ' LEU . . . . . 0.882 HD13 ' CZ ' ' A' ' 675' ' ' TYR . 35.2 tp -58.24 152.67 16.74 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.29 -0.881 . . . . 0.0 110.483 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 699' ' ' GLN . . . . . 0.456 ' HG3' ' HD3' ' A' ' 676' ' ' LYS . 11.6 mm100 . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.339 -0.851 . . . . 0.0 110.192 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 655' ' ' ALA . . . . . 0.481 ' HA ' ' OG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 121.231 0.538 . . . . 0.0 110.158 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 656' ' ' TRP . . . . . 0.656 ' CD2' ' CE2' ' A' ' 670' ' ' TYR . 51.9 t90 -58.9 150.9 23.0 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.246 -0.909 . . . . 0.0 110.237 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 657' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 658' ' ' VAL . 45.5 mt-30 -146.88 101.28 3.42 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.29 -0.881 . . . . 0.0 110.205 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 658' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 657' ' ' GLN . 2.7 p -43.17 148.27 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.109 -0.995 . . . . 0.0 110.18 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 2.9 t30 61.65 59.73 1.76 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.215 -0.928 . . . . 0.0 109.876 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 660' ' ' THR . . . . . 0.624 ' O ' HG23 ' A' ' 682' ' ' THR . 3.2 m -139.01 159.54 41.9 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.115 -0.991 . . . . 0.0 110.447 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -101.22 103.4 14.42 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.349 -0.844 . . . . 0.0 109.91 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -99.79 140.99 33.19 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.224 -0.922 . . . . 0.0 110.282 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 663' ' ' THR . . . . . 0.472 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 31.4 p -102.11 158.65 16.01 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.289 -0.882 . . . . 0.0 109.931 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 664' ' ' ALA . . . . . 0.914 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -49.64 140.3 11.31 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.212 -0.93 . . . . 0.0 110.384 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 665' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 73.4 30.59 62.24 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.774 -1.331 . . . . 0.0 109.774 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 666' ' ' GLN . . . . . 0.548 ' HB2' ' CB ' ' A' ' 677' ' ' CYS . 0.4 OUTLIER -84.45 -175.41 5.77 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.214 -1.168 . . . . 0.0 110.112 179.768 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 667' ' ' LEU . . . . . 0.495 ' HA ' HD23 ' A' ' 667' ' ' LEU . 7.3 mt -147.87 109.05 4.28 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.119 -0.988 . . . . 0.0 110.497 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 668' ' ' VAL . . . . . . . . . . . . . 3.0 m -120.69 163.27 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.273 -0.892 . . . . 0.0 109.856 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 669' ' ' THR . . . . . 0.481 ' OG1' ' HA ' ' A' ' 655' ' ' ALA . 30.9 p -139.86 121.76 15.55 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.981 -1.074 . . . . 0.0 110.123 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 670' ' ' TYR . . . . . 0.656 ' CE2' ' CD2' ' A' ' 656' ' ' TRP . 66.5 m-85 -91.86 102.43 15.02 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.081 -1.012 . . . . 0.0 110.504 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 671' ' ' ASN . . . . . 0.458 ' HB3' ' O ' ' A' ' 670' ' ' TYR . 42.1 t30 57.57 -80.76 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.333 -0.855 . . . . 0.0 110.345 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 672' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 670' ' ' TYR . . . -131.62 30.21 3.3 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.308 -1.517 . . . . 0.0 109.308 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 673' ' ' LYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 669' ' ' THR . 11.7 mttt -119.27 143.49 47.3 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.246 -1.149 . . . . 0.0 110.504 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 674' ' ' THR . . . . . 0.437 ' HB ' ' CG ' ' A' ' 699' ' ' GLN . 1.1 m -101.87 122.46 44.03 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.5 -0.75 . . . . 0.0 109.827 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 675' ' ' TYR . . . . . 0.63 ' CE1' ' CB ' ' A' ' 690' ' ' SER . 22.8 m-85 -130.86 151.15 51.59 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.208 -0.933 . . . . 0.0 110.776 -179.446 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 676' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 697' ' ' GLN . 0.0 OUTLIER -132.41 134.3 44.96 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.467 -0.771 . . . . 0.0 109.515 179.495 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 677' ' ' CYS . . . . . 0.548 ' CB ' ' HB2' ' A' ' 666' ' ' GLN . 0.1 OUTLIER -85.39 148.34 26.06 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.25 -0.907 . . . . 0.0 110.271 -179.627 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.31 -18.92 9.13 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.278 -0.888 . . . . 0.0 110.189 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -131.6 145.83 59.28 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.209 -0.932 . . . . 0.0 110.247 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 680' ' ' PRO . . . . . 0.914 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 2.9 Cg_endo -61.58 94.68 0.12 Allowed 'Trans proline' 0 C--N 1.311 -1.423 0 O-C-N 123.641 1.338 . . . . 0.0 110.412 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 681' ' ' HIS . . . . . . . . . . . . . 18.2 m80 -136.3 164.29 28.43 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.241 -0.912 . . . . 0.0 110.179 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 682' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 660' ' ' THR . 22.6 m -103.79 125.34 50.17 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.311 -0.868 . . . . 0.0 110.364 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 683' ' ' SER . . . . . 0.474 ' OG ' ' NE1' ' A' ' 656' ' ' TRP . 12.0 t -68.93 141.29 55.04 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.33 -0.856 . . . . 0.0 110.002 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 684' ' ' LEU . . . . . 0.646 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.6 OUTLIER -152.7 179.38 8.67 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.174 -0.954 . . . . 0.0 110.757 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -60.24 84.7 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.416 -0.803 . . . . 0.0 110.039 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 686' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 163.09 -39.92 0.34 Allowed Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 687' ' ' TRP . . . . . 0.428 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 51.5 m0 -88.91 37.87 0.86 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.174 -1.192 . . . . 0.0 110.058 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 688' ' ' GLU . . . . . 0.581 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.4 mt-10 -89.35 -49.0 0.4 Allowed Pre-proline 0 N--CA 1.493 1.71 0 O-C-N 121.322 -0.861 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 689' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.4 Cg_endo -71.81 -2.63 11.75 Favored 'Trans proline' 0 C--N 1.316 -1.177 0 O-C-N 123.231 1.121 . . . . 0.0 110.036 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 690' ' ' SER . . . . . 0.63 ' CB ' ' CE1' ' A' ' 675' ' ' TYR . 4.7 p 58.07 56.89 4.33 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.351 -0.843 . . . . 0.0 109.474 -179.153 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -89.38 24.05 2.35 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.471 -0.768 . . . . 0.0 110.844 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 692' ' ' VAL . . . . . 0.436 HG23 ' HD1' ' A' ' 696' ' ' TRP . 2.1 m -139.93 88.58 11.85 Favored Pre-proline 0 N--CA 1.492 1.634 0 O-C-N 121.143 -0.973 . . . . 0.0 110.163 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -61.81 -11.16 19.65 Favored 'Trans proline' 0 C--N 1.314 -1.249 0 O-C-N 123.795 1.418 . . . . 0.0 110.75 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -62.84 -33.29 74.93 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.226 -0.921 . . . . 0.0 110.476 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 695' ' ' LEU . . . . . 0.736 ' C ' HD12 ' A' ' 695' ' ' LEU . 3.5 pp -140.21 10.33 2.33 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.028 -1.045 . . . . 0.0 110.925 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 696' ' ' TRP . . . . . 0.545 ' CD1' ' CD1' ' A' ' 695' ' ' LEU . 0.4 OUTLIER -130.39 88.85 2.69 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.935 -1.103 . . . . 0.0 110.936 -179.736 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 697' ' ' GLN . . . . . 0.451 ' O ' ' HG2' ' A' ' 676' ' ' LYS . 2.0 tp-100 -99.83 115.29 29.24 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.199 -0.938 . . . . 0.0 109.385 179.144 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 698' ' ' LEU . . . . . 0.785 HD12 ' N ' ' A' ' 699' ' ' GLN . 0.9 OUTLIER -89.82 -175.16 4.54 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.075 -1.016 . . . . 0.0 110.91 -179.189 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 699' ' ' GLN . . . . . 0.785 ' N ' HD12 ' A' ' 698' ' ' LEU . 1.9 pt20 . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.555 -0.715 . . . . 0.0 110.07 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 655' ' ' ALA . . . . . 0.801 ' N ' ' HG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.279 0.561 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 656' ' ' TRP . . . . . 0.796 ' CH2' HG12 ' A' ' 658' ' ' VAL . 57.9 t90 -73.04 138.26 45.83 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.278 -0.889 . . . . 0.0 110.143 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 657' ' ' GLN . . . . . 0.436 ' HG2' ' C ' ' A' ' 656' ' ' TRP . 1.9 mt-30 -127.06 131.32 50.94 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.178 -0.951 . . . . 0.0 110.299 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 658' ' ' VAL . . . . . 0.796 HG12 ' CH2' ' A' ' 656' ' ' TRP . 5.7 m -69.59 166.97 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.232 -0.917 . . . . 0.0 109.952 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 49.22 50.58 17.78 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.132 -0.98 . . . . 0.0 109.75 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 660' ' ' THR . . . . . 0.746 ' O ' HG23 ' A' ' 682' ' ' THR . 55.2 m -133.57 168.44 18.65 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.189 -0.944 . . . . 0.0 110.413 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 661' ' ' ALA . . . . . 0.536 ' N ' HG22 ' A' ' 660' ' ' THR . . . -117.24 106.32 13.17 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.282 -0.886 . . . . 0.0 110.018 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -101.13 155.72 17.84 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.228 -0.92 . . . . 0.0 110.319 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 663' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 62.5 p -100.8 -173.21 2.33 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.232 -0.918 . . . . 0.0 110.297 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 664' ' ' ALA . . . . . 0.887 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -81.36 124.95 29.81 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.296 -0.878 . . . . 0.0 110.172 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 89.92 27.8 20.33 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 666' ' ' GLN . . . . . 0.436 ' HB2' ' HB3' ' A' ' 677' ' ' CYS . 1.1 tm0? -87.93 172.2 9.76 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.163 -1.198 . . . . 0.0 110.05 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 667' ' ' LEU . . . . . 0.625 HD11 ' HE3' ' A' ' 676' ' ' LYS . 0.3 OUTLIER -130.65 127.85 39.77 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.095 -1.003 . . . . 0.0 110.445 -179.828 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 668' ' ' VAL . . . . . 0.537 ' CG2' ' HB2' ' A' ' 675' ' ' TYR . 3.0 m -135.25 171.11 18.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.435 -0.791 . . . . 0.0 109.955 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 669' ' ' THR . . . . . 0.801 ' HG1' ' N ' ' A' ' 655' ' ' ALA . 17.4 p -140.62 119.15 12.28 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.197 -0.94 . . . . 0.0 110.157 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 670' ' ' TYR . . . . . 0.667 ' CE2' ' CD2' ' A' ' 656' ' ' TRP . 79.7 m-85 -88.87 80.6 7.1 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.099 -1.001 . . . . 0.0 110.454 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 5.6 m120 45.25 83.43 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.417 -0.802 . . . . 0.0 110.956 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . 82.8 -14.66 35.76 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 110.13 -1.188 . . . . 0.0 110.13 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 673' ' ' LYS . . . . . 0.513 ' O ' ' HA ' ' A' ' 669' ' ' THR . 11.3 mmtt -100.01 155.28 17.79 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.071 -1.252 . . . . 0.0 110.048 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 674' ' ' THR . . . . . 0.617 ' O ' HD12 ' A' ' 698' ' ' LEU . 1.6 m -124.19 130.87 53.28 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.343 -0.848 . . . . 0.0 110.3 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 675' ' ' TYR . . . . . 0.621 ' CZ ' HD13 ' A' ' 698' ' ' LEU . 20.4 m-85 -131.01 167.57 18.83 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.227 -0.921 . . . . 0.0 110.007 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 676' ' ' LYS . . . . . 0.625 ' HE3' HD11 ' A' ' 667' ' ' LEU . 3.0 mptt -138.63 101.04 4.24 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.177 -0.952 . . . . 0.0 110.604 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 677' ' ' CYS . . . . . 0.436 ' HB3' ' HB2' ' A' ' 666' ' ' GLN . 0.1 OUTLIER -54.89 146.91 16.33 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.187 -0.946 . . . . 0.0 109.89 179.711 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -127.98 -5.36 5.62 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.234 -0.916 . . . . 0.0 110.521 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 679' ' ' GLN . . . . . 0.421 ' HB2' ' HB2' ' A' ' 695' ' ' LEU . 2.0 tt0 -144.01 143.8 24.11 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.108 -0.995 . . . . 0.0 110.371 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 680' ' ' PRO . . . . . 0.887 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 2.9 Cg_endo -63.68 94.1 0.18 Allowed 'Trans proline' 0 C--N 1.315 -1.237 0 O-C-N 123.558 1.294 . . . . 0.0 110.82 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 681' ' ' HIS . . . . . 0.501 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 4.7 m-70 -138.61 179.76 6.28 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.227 -0.921 . . . . 0.0 109.792 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 682' ' ' THR . . . . . 0.746 HG23 ' O ' ' A' ' 660' ' ' THR . 49.4 m -117.36 131.71 56.73 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.175 -0.953 . . . . 0.0 110.452 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.63 148.77 27.78 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.297 -0.877 . . . . 0.0 109.88 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 684' ' ' LEU . . . . . 0.603 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.6 OUTLIER -147.91 -176.24 5.2 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.269 -0.894 . . . . 0.0 110.496 -179.881 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -67.3 81.8 0.14 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.294 -0.879 . . . . 0.0 110.13 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 686' ' ' GLY . . . . . 0.431 ' O ' ' HD2' ' A' ' 689' ' ' PRO . . . 162.13 -29.43 0.28 Allowed Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.743 -1.343 . . . . 0.0 109.743 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 28.5 m0 -86.7 32.79 0.65 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.148 -1.207 . . . . 0.0 110.373 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 688' ' ' GLU . . . . . 0.596 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.4 mt-10 -88.92 -47.01 0.43 Allowed Pre-proline 0 N--CA 1.496 1.837 0 O-C-N 121.182 -0.949 . . . . 0.0 111.109 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 689' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.8 Cg_endo -68.76 -3.9 12.2 Favored 'Trans proline' 0 C--N 1.313 -1.309 0 O-C-N 123.186 1.098 . . . . 0.0 110.683 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 690' ' ' SER . . . . . 0.505 ' O ' ' OG ' ' A' ' 690' ' ' SER . 1.3 p 69.34 57.28 0.36 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.414 -0.804 . . . . 0.0 110.171 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 691' ' ' ASN . . . . . 0.442 ' C ' ' HD3' ' A' ' 693' ' ' PRO . 48.7 m-20 -79.42 -14.29 59.03 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.977 -1.077 . . . . 0.0 110.428 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 692' ' ' VAL . . . . . 0.547 HG23 ' CD1' ' A' ' 695' ' ' LEU . 19.7 m -116.27 76.76 7.0 Favored Pre-proline 0 N--CA 1.492 1.657 0 O-C-N 121.302 -0.874 . . . . 0.0 110.07 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 693' ' ' PRO . . . . . 0.442 ' HD3' ' C ' ' A' ' 691' ' ' ASN . 3.1 Cg_exo -58.69 -21.16 54.48 Favored 'Trans proline' 0 C--N 1.309 -1.51 0 O-C-N 123.618 1.325 . . . . 0.0 110.345 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -51.54 -44.3 62.6 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.19 -0.944 . . . . 0.0 110.029 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 695' ' ' LEU . . . . . 1.079 HD13 ' N ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -109.5 -12.39 14.7 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.198 -0.939 . . . . 0.0 109.995 179.854 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 696' ' ' TRP . . . . . 1.079 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.6 OUTLIER -99.33 108.25 20.73 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.093 -1.004 . . . . 0.0 109.824 179.505 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 697' ' ' GLN . . . . . 0.496 ' O ' ' HB2' ' A' ' 676' ' ' LYS . 4.8 tp60 -102.54 84.29 2.41 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.213 -0.929 . . . . 0.0 110.317 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 698' ' ' LEU . . . . . 0.621 HD13 ' CZ ' ' A' ' 675' ' ' TYR . 16.3 tp -58.0 151.81 17.74 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.214 -0.929 . . . . 0.0 110.097 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 699' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.258 -0.901 . . . . 0.0 110.251 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 655' ' ' ALA . . . . . 0.544 ' N ' ' HG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 121.186 0.517 . . . . 0.0 110.22 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 656' ' ' TRP . . . . . 0.876 ' CZ3' HG22 ' A' ' 658' ' ' VAL . 84.1 t90 -64.62 117.4 7.36 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.281 -0.887 . . . . 0.0 110.317 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -103.82 123.11 46.5 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.26 -0.9 . . . . 0.0 110.079 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 658' ' ' VAL . . . . . 0.876 HG22 ' CZ3' ' A' ' 656' ' ' TRP . 57.4 t -57.9 146.34 7.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.184 -0.947 . . . . 0.0 110.197 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 7.7 t30 61.16 49.84 5.31 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.199 -0.938 . . . . 0.0 110.117 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 34.9 m -135.23 131.82 37.1 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.357 -0.839 . . . . 0.0 110.228 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -69.13 141.49 54.63 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.146 -0.971 . . . . 0.0 110.244 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -136.73 160.35 39.12 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.378 -0.826 . . . . 0.0 110.004 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 663' ' ' THR . . . . . 0.473 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 1.6 p -110.08 -177.61 3.3 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.174 -0.954 . . . . 0.0 110.076 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 664' ' ' ALA . . . . . 1.068 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -79.43 159.12 27.16 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.183 -0.948 . . . . 0.0 110.229 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 665' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 61.03 20.45 57.95 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.617 -1.393 . . . . 0.0 109.617 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 666' ' ' GLN . . . . . 0.48 ' HA ' ' OE1' ' A' ' 666' ' ' GLN . 0.0 OUTLIER -81.75 177.94 8.6 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.185 -1.185 . . . . 0.0 110.142 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 667' ' ' LEU . . . . . 0.555 HD23 ' C ' ' A' ' 667' ' ' LEU . 4.6 tt -142.76 104.29 4.33 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.105 -0.997 . . . . 0.0 110.333 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 668' ' ' VAL . . . . . . . . . . . . . 3.0 m -110.02 170.84 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.285 -0.885 . . . . 0.0 109.855 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 669' ' ' THR . . . . . 0.544 ' HG1' ' N ' ' A' ' 655' ' ' ALA . 3.2 p -140.09 116.04 10.34 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.046 -1.034 . . . . 0.0 110.276 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 670' ' ' TYR . . . . . 0.687 ' CE2' ' CD2' ' A' ' 656' ' ' TRP . 77.0 m-85 -84.19 -165.34 1.12 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.303 -0.873 . . . . 0.0 110.019 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -47.81 91.51 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.27 -0.893 . . . . 0.0 110.008 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 672' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 670' ' ' TYR . . . 56.95 27.78 57.21 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.269 -1.532 . . . . 0.0 109.269 -179.669 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 673' ' ' LYS . . . . . 0.518 ' HB2' ' HB2' ' A' ' 670' ' ' TYR . 1.6 mmtm -117.61 147.73 42.58 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.311 -1.111 . . . . 0.0 110.324 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 674' ' ' THR . . . . . . . . . . . . . 14.9 m -106.91 124.7 50.01 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.251 -0.905 . . . . 0.0 109.528 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 675' ' ' TYR . . . . . 0.546 ' HA ' ' HA ' ' A' ' 698' ' ' LEU . 14.3 m-85 -132.83 158.1 43.35 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.131 -0.981 . . . . 0.0 111.157 -179.399 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.42 114.72 11.66 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.478 -0.764 . . . . 0.0 109.948 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 677' ' ' CYS . . . . . 0.455 ' HB2' ' HB3' ' A' ' 666' ' ' GLN . 0.1 OUTLIER -65.34 136.57 56.71 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.266 -0.896 . . . . 0.0 110.288 -179.765 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.702 HD23 ' HG3' ' A' ' 679' ' ' GLN . 0.6 OUTLIER -109.21 -14.25 14.52 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.223 -0.923 . . . . 0.0 110.153 179.801 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 679' ' ' GLN . . . . . 0.702 ' HG3' HD23 ' A' ' 678' ' ' LEU . 4.2 mt-30 -143.09 143.42 24.75 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.293 -0.879 . . . . 0.0 110.299 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 680' ' ' PRO . . . . . 1.068 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.0 Cg_endo -62.14 107.54 0.57 Allowed 'Trans proline' 0 C--N 1.312 -1.38 0 O-C-N 123.696 1.366 . . . . 0.0 110.724 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 681' ' ' HIS . . . . . 0.51 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 25.7 m-70 -143.99 -161.46 1.28 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.341 -0.85 . . . . 0.0 110.064 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 24.4 m -132.81 124.74 28.58 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.193 -0.942 . . . . 0.0 110.505 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 69.2 p -75.83 143.91 41.59 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.366 -0.834 . . . . 0.0 110.14 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 684' ' ' LEU . . . . . 0.614 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.8 OUTLIER -146.44 176.44 9.8 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.211 -0.93 . . . . 0.0 110.649 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -63.83 74.15 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.312 -0.867 . . . . 0.0 110.244 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 686' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 173.65 -29.17 0.09 OUTLIER Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 25.8 m0 -85.65 31.54 0.6 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.201 -1.176 . . . . 0.0 110.37 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 688' ' ' GLU . . . . . 0.606 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 2.3 mt-10 -87.64 -47.8 0.47 Allowed Pre-proline 0 N--CA 1.495 1.791 0 O-C-N 121.137 -0.977 . . . . 0.0 110.372 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 689' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.7 Cg_endo -70.91 -3.44 12.78 Favored 'Trans proline' 0 C--N 1.313 -1.291 0 O-C-N 123.316 1.166 . . . . 0.0 110.058 179.534 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 690' ' ' SER . . . . . 0.468 ' O ' ' OG ' ' A' ' 690' ' ' SER . 3.8 p 62.14 57.13 2.09 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.512 -0.743 . . . . 0.0 110.139 -179.576 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 691' ' ' ASN . . . . . 0.452 ' C ' ' HD3' ' A' ' 693' ' ' PRO . 6.6 m-20 -79.41 -6.17 56.26 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.262 -0.899 . . . . 0.0 109.671 179.76 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 692' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 692' ' ' VAL . 27.3 m -122.26 70.81 33.43 Favored Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.37 -0.831 . . . . 0.0 110.177 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 693' ' ' PRO . . . . . 0.452 ' HD3' ' C ' ' A' ' 691' ' ' ASN . 3.1 Cg_exo -59.02 -19.76 50.11 Favored 'Trans proline' 0 C--N 1.31 -1.459 0 O-C-N 123.649 1.341 . . . . 0.0 110.616 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -52.17 -39.66 60.36 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.237 -0.914 . . . . 0.0 110.104 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 695' ' ' LEU . . . . . 1.047 ' O ' HD22 ' A' ' 695' ' ' LEU . 0.0 OUTLIER -115.17 -10.92 12.09 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.326 -0.859 . . . . 0.0 110.268 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 696' ' ' TRP . . . . . 1.027 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.6 OUTLIER -105.13 95.87 6.14 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.188 -0.945 . . . . 0.0 110.105 179.294 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -99.76 102.31 13.72 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.104 -0.998 . . . . 0.0 109.906 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 698' ' ' LEU . . . . . 0.765 HD12 ' N ' ' A' ' 699' ' ' GLN . 1.0 OUTLIER -97.15 -172.25 2.39 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.191 -0.943 . . . . 0.0 110.745 -179.642 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 699' ' ' GLN . . . . . 0.765 ' N ' HD12 ' A' ' 698' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.445 -0.784 . . . . 0.0 110.131 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 655' ' ' ALA . . . . . 0.413 ' HA ' ' OG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.171 0.51 . . . . 0.0 110.201 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 656' ' ' TRP . . . . . 0.664 ' CD2' ' CE2' ' A' ' 670' ' ' TYR . 36.3 t90 -50.22 144.47 7.17 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.271 -0.893 . . . . 0.0 110.111 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -118.24 108.9 15.7 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.195 -0.941 . . . . 0.0 110.251 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 658' ' ' VAL . . . . . 0.547 ' HA ' ' CZ2' ' A' ' 656' ' ' TRP . 2.2 p -53.76 147.93 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.142 -0.974 . . . . 0.0 110.061 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 659' ' ' ASN . . . . . 0.423 ' HA ' ' O ' ' A' ' 683' ' ' SER . 4.4 m-20 57.78 56.5 4.76 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.252 -0.905 . . . . 0.0 110.123 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 99.1 m -138.71 144.08 39.39 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.252 -0.905 . . . . 0.0 110.21 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -87.79 122.44 31.45 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.112 -0.993 . . . . 0.0 110.207 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 662' ' ' TYR . . . . . 0.516 ' O ' ' HA ' ' A' ' 680' ' ' PRO . 19.4 m-85 -114.79 157.49 23.17 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.134 -0.979 . . . . 0.0 110.326 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 663' ' ' THR . . . . . 0.428 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 16.3 p -100.7 -167.11 1.39 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.306 -0.871 . . . . 0.0 110.062 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 664' ' ' ALA . . . . . 0.868 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -90.11 108.34 19.67 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.223 -0.923 . . . . 0.0 110.084 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 110.9 30.62 3.16 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 666' ' ' GLN . . . . . 0.566 ' HB2' ' CB ' ' A' ' 677' ' ' CYS . 4.0 mm-40 -90.4 168.38 11.91 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.316 -1.108 . . . . 0.0 109.826 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -130.73 105.13 7.59 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.136 -0.978 . . . . 0.0 110.541 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 668' ' ' VAL . . . . . . . . . . . . . 2.3 m -113.65 173.04 3.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.351 -0.843 . . . . 0.0 109.67 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 669' ' ' THR . . . . . 0.413 ' OG1' ' HA ' ' A' ' 655' ' ' ALA . 18.3 p -140.53 121.09 14.19 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.026 -1.046 . . . . 0.0 110.777 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 670' ' ' TYR . . . . . 0.664 ' CE2' ' CD2' ' A' ' 656' ' ' TRP . 56.9 m-85 -96.18 -159.52 0.73 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.322 -0.861 . . . . 0.0 109.663 179.46 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 671' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 670' ' ' TYR . 1.7 t-20 -43.72 94.17 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.09 -1.006 . . . . 0.0 110.159 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 672' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 670' ' ' TYR . . . 48.99 27.42 6.65 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.581 -1.407 . . . . 0.0 109.581 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 673' ' ' LYS . . . . . 0.473 ' HB2' ' HB2' ' A' ' 670' ' ' TYR . 1.6 mttm -118.34 158.52 25.08 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.216 -1.167 . . . . 0.0 110.556 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 674' ' ' THR . . . . . 0.584 ' O ' HD12 ' A' ' 698' ' ' LEU . 22.9 m -126.24 117.89 24.01 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.403 -0.81 . . . . 0.0 109.642 179.467 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 675' ' ' TYR . . . . . 0.857 ' CZ ' HD13 ' A' ' 698' ' ' LEU . 39.9 m-85 -115.38 157.27 24.13 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.145 -0.972 . . . . 0.0 110.461 -179.59 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 676' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 697' ' ' GLN . 0.7 OUTLIER -124.54 92.7 3.71 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.305 -0.872 . . . . 0.0 109.909 179.797 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 677' ' ' CYS . . . . . 0.566 ' CB ' ' HB2' ' A' ' 666' ' ' GLN . 0.0 OUTLIER -47.99 143.46 4.26 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.145 -0.972 . . . . 0.0 109.87 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.456 ' O ' HD23 ' A' ' 678' ' ' LEU . 6.9 tt -127.91 -4.95 5.69 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.298 -0.876 . . . . 0.0 110.61 -179.326 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 679' ' ' GLN . . . . . 0.451 ' HB2' ' HB2' ' A' ' 695' ' ' LEU . 0.7 OUTLIER -140.55 140.05 21.7 Favored Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.055 -1.028 . . . . 0.0 110.34 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 680' ' ' PRO . . . . . 0.868 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 2.9 Cg_endo -63.38 94.22 0.17 Allowed 'Trans proline' 0 C--N 1.313 -1.341 0 O-C-N 123.513 1.27 . . . . 0.0 110.355 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 681' ' ' HIS . . . . . 0.442 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 0.4 OUTLIER -135.72 -174.01 3.53 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.163 -0.961 . . . . 0.0 110.29 -179.802 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 682' ' ' THR . . . . . 0.471 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 53.4 m -120.77 124.66 45.65 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.241 -0.912 . . . . 0.0 110.248 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 683' ' ' SER . . . . . 0.423 ' O ' ' HA ' ' A' ' 659' ' ' ASN . 1.1 t -84.84 147.82 26.61 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.294 -0.879 . . . . 0.0 109.952 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 684' ' ' LEU . . . . . 0.531 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.7 OUTLIER -152.65 -177.01 5.97 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.212 -0.93 . . . . 0.0 110.122 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -63.39 76.09 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.263 -0.898 . . . . 0.0 110.218 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 686' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 173.5 -35.62 0.12 Allowed Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 687' ' ' TRP . . . . . 0.471 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 44.5 m0 -89.82 40.24 0.99 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.295 -1.121 . . . . 0.0 109.785 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 688' ' ' GLU . . . . . 0.589 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.0 OUTLIER -88.93 -48.06 0.42 Allowed Pre-proline 0 N--CA 1.494 1.759 0 O-C-N 121.414 -0.804 . . . . 0.0 110.495 -179.689 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 689' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.7 Cg_endo -71.41 0.12 7.31 Favored 'Trans proline' 0 C--N 1.315 -1.216 0 O-C-N 123.211 1.111 . . . . 0.0 110.552 179.625 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 690' ' ' SER . . . . . 0.514 ' CB ' ' CE2' ' A' ' 675' ' ' TYR . 1.3 t 59.63 61.7 1.9 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.328 -0.857 . . . . 0.0 109.625 -179.391 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 691' ' ' ASN . . . . . 0.457 ' OD1' ' HB2' ' A' ' 689' ' ' PRO . 7.3 m-20 -85.36 5.14 32.06 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.223 -0.923 . . . . 0.0 110.441 -179.57 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 692' ' ' VAL . . . . . 0.464 HG23 ' CD1' ' A' ' 695' ' ' LEU . 12.3 m -129.51 85.42 58.85 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.046 -1.034 . . . . 0.0 110.608 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -61.21 -12.75 24.73 Favored 'Trans proline' 0 C--N 1.31 -1.457 0 O-C-N 123.692 1.364 . . . . 0.0 110.472 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -60.5 -36.43 78.32 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.331 -0.856 . . . . 0.0 110.373 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 695' ' ' LEU . . . . . 1.059 HD13 ' N ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -121.8 -11.83 8.53 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.186 -0.946 . . . . 0.0 110.298 -179.818 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 696' ' ' TRP . . . . . 1.059 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.9 OUTLIER -101.22 109.23 21.06 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.163 -0.96 . . . . 0.0 110.117 179.495 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 697' ' ' GLN . . . . . 0.428 ' O ' ' HB2' ' A' ' 676' ' ' LYS . 0.0 OUTLIER -102.02 73.4 1.38 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.112 -0.992 . . . . 0.0 109.977 179.737 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 698' ' ' LEU . . . . . 0.857 HD13 ' CZ ' ' A' ' 675' ' ' TYR . 43.7 tp -53.98 161.1 1.3 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.291 -0.881 . . . . 0.0 110.329 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 699' ' ' GLN . . . . . 0.525 ' N ' ' HG ' ' A' ' 698' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.599 0 O-C-N 121.305 -0.872 . . . . 0.0 110.275 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 655' ' ' ALA . . . . . 0.78 ' N ' ' HG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.206 0.527 . . . . 0.0 110.192 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 656' ' ' TRP . . . . . 0.493 ' CD2' ' CE1' ' A' ' 670' ' ' TYR . 86.2 t90 -51.24 141.65 14.36 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.25 -0.906 . . . . 0.0 110.094 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -122.76 123.23 40.59 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.268 -0.895 . . . . 0.0 110.243 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 658' ' ' VAL . . . . . 0.423 ' HB ' ' CZ3' ' A' ' 656' ' ' TRP . 7.7 p -68.23 156.32 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.346 -0.846 . . . . 0.0 110.242 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 58.68 49.57 10.04 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.24 -0.913 . . . . 0.0 110.015 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 27.9 m -139.68 132.73 29.54 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.274 -0.891 . . . . 0.0 110.364 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -78.34 119.37 21.59 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.267 -0.896 . . . . 0.0 110.149 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 662' ' ' TYR . . . . . 0.425 ' O ' ' HA ' ' A' ' 680' ' ' PRO . 14.7 m-85 -107.36 146.34 31.72 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.29 -0.881 . . . . 0.0 110.146 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 1.4 p -100.9 163.52 12.26 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.204 -0.935 . . . . 0.0 110.262 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 664' ' ' ALA . . . . . 0.98 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -58.93 119.73 7.76 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.309 -0.87 . . . . 0.0 110.412 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 665' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 100.58 29.33 6.66 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 666' ' ' GLN . . . . . 0.52 ' HB2' ' HB3' ' A' ' 677' ' ' CYS . 1.3 tm0? -90.23 -178.12 5.31 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.151 -1.205 . . . . 0.0 110.335 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.79 116.78 9.92 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.343 -0.848 . . . . 0.0 110.401 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 668' ' ' VAL . . . . . 0.502 ' CG2' ' HB2' ' A' ' 675' ' ' TYR . 2.4 m -129.8 156.27 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.117 -0.989 . . . . 0.0 109.903 179.713 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 669' ' ' THR . . . . . 0.78 ' HG1' ' N ' ' A' ' 655' ' ' ALA . 23.4 p -140.86 121.88 14.61 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.064 -1.023 . . . . 0.0 110.088 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 670' ' ' TYR . . . . . 0.612 ' CZ ' ' HA ' ' A' ' 688' ' ' GLU . 60.6 m-85 -80.66 -175.01 5.03 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.933 -1.105 . . . . 0.0 110.355 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 671' ' ' ASN . . . . . 0.486 ' C ' ' O ' ' A' ' 670' ' ' TYR . 4.2 m120 -31.07 -40.98 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.938 0 CA-C-O 121.195 0.521 . . . . 0.0 111.457 -179.339 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 672' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 670' ' ' TYR . . . -159.88 45.37 0.43 Allowed Glycine 0 N--CA 1.488 2.145 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 673' ' ' LYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 669' ' ' THR . 40.1 mmtt -139.95 148.43 41.95 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.189 -1.183 . . . . 0.0 110.827 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 674' ' ' THR . . . . . 0.507 ' HB ' ' HG3' ' A' ' 699' ' ' GLN . 1.7 m -104.66 124.72 49.84 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.542 -0.724 . . . . 0.0 109.835 179.52 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 675' ' ' TYR . . . . . 0.638 ' CE1' ' HB3' ' A' ' 698' ' ' LEU . 36.1 m-85 -131.81 159.7 37.77 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.25 -0.906 . . . . 0.0 110.64 -179.584 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 676' ' ' LYS . . . . . 0.476 ' HG2' ' HB3' ' A' ' 697' ' ' GLN . 0.0 OUTLIER -140.15 129.85 24.42 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.351 -0.843 . . . . 0.0 109.528 179.291 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 677' ' ' CYS . . . . . 0.52 ' HB3' ' HB2' ' A' ' 666' ' ' GLN . 0.5 OUTLIER -75.93 138.16 40.82 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.311 -0.868 . . . . 0.0 110.25 -179.692 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.502 HD12 ' HB2' ' A' ' 697' ' ' GLN . 0.1 OUTLIER -116.25 -7.82 11.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.299 -0.875 . . . . 0.0 110.564 -179.775 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 679' ' ' GLN . . . . . 0.528 ' HB3' ' CE1' ' A' ' 681' ' ' HIS . 0.2 OUTLIER -146.78 141.16 15.8 Favored Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.1 -1.0 . . . . 0.0 110.439 -179.892 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 680' ' ' PRO . . . . . 0.98 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.1 Cg_exo -61.76 95.46 0.13 Allowed 'Trans proline' 0 C--N 1.314 -1.252 0 O-C-N 123.496 1.261 . . . . 0.0 110.664 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 681' ' ' HIS . . . . . 0.528 ' CE1' ' HB3' ' A' ' 679' ' ' GLN . 20.1 m80 -131.09 -166.16 1.66 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.267 -0.895 . . . . 0.0 110.167 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 682' ' ' THR . . . . . 0.58 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 53.8 m -123.73 122.83 39.1 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.237 -0.914 . . . . 0.0 110.547 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 48.2 p -86.85 137.79 32.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.276 -0.89 . . . . 0.0 109.925 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 684' ' ' LEU . . . . . 0.584 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.6 OUTLIER -146.94 -177.53 5.71 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.218 -0.926 . . . . 0.0 110.611 -179.862 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -62.56 74.06 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.335 -0.853 . . . . 0.0 110.071 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 686' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 176.38 -37.81 0.1 OUTLIER Glycine 0 N--CA 1.489 2.171 0 N-CA-C 109.418 -1.473 . . . . 0.0 109.418 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 687' ' ' TRP . . . . . 0.58 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 40.0 m0 -89.07 38.91 0.91 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.149 -1.207 . . . . 0.0 110.253 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 688' ' ' GLU . . . . . 0.612 ' HA ' ' CZ ' ' A' ' 670' ' ' TYR . 1.7 mt-10 -88.11 -48.53 0.44 Allowed Pre-proline 0 N--CA 1.494 1.766 0 O-C-N 121.268 -0.895 . . . . 0.0 110.41 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 689' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.5 Cg_endo -71.1 -2.51 11.23 Favored 'Trans proline' 0 C--N 1.314 -1.238 0 O-C-N 123.346 1.182 . . . . 0.0 110.346 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 690' ' ' SER . . . . . 0.528 ' CB ' ' CE1' ' A' ' 675' ' ' TYR . 1.7 p 64.37 62.87 0.79 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.308 -0.87 . . . . 0.0 109.861 -179.593 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -85.17 6.94 23.67 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.141 -0.974 . . . . 0.0 110.811 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 692' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 692' ' ' VAL . 25.7 m -137.46 84.41 23.41 Favored Pre-proline 0 N--CA 1.493 1.688 0 O-C-N 120.984 -1.072 . . . . 0.0 110.552 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -60.51 -15.58 37.07 Favored 'Trans proline' 0 C--N 1.312 -1.38 0 O-C-N 123.68 1.358 . . . . 0.0 110.545 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -49.58 -37.81 28.9 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.187 -0.946 . . . . 0.0 109.958 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 695' ' ' LEU . . . . . 0.809 HD12 ' N ' ' A' ' 696' ' ' TRP . 1.1 pp -129.92 -1.34 4.71 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.241 -0.912 . . . . 0.0 110.015 179.665 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 696' ' ' TRP . . . . . 0.809 ' N ' HD12 ' A' ' 695' ' ' LEU . 0.7 OUTLIER -111.36 92.39 4.02 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.232 -0.917 . . . . 0.0 109.786 179.574 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 697' ' ' GLN . . . . . 0.502 ' HB2' HD12 ' A' ' 678' ' ' LEU . 16.4 tt0 -99.22 108.23 20.75 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.189 -0.944 . . . . 0.0 109.784 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 698' ' ' LEU . . . . . 0.985 HD12 ' N ' ' A' ' 699' ' ' GLN . 0.9 OUTLIER -96.39 -174.27 3.01 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.356 -0.84 . . . . 0.0 110.762 -179.409 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 699' ' ' GLN . . . . . 0.985 ' N ' HD12 ' A' ' 698' ' ' LEU . 2.7 pt20 . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.49 -0.756 . . . . 0.0 110.161 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 655' ' ' ALA . . . . . 0.598 ' N ' ' HG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.493 1.72 0 CA-C-O 121.215 0.531 . . . . 0.0 110.257 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 656' ' ' TRP . . . . . 0.579 ' CD2' ' CE1' ' A' ' 670' ' ' TYR . 66.9 t90 -63.72 157.41 24.27 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.087 -1.008 . . . . 0.0 110.332 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -135.8 139.65 43.64 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.273 -0.892 . . . . 0.0 110.12 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 658' ' ' VAL . . . . . 0.47 HG12 ' H ' ' A' ' 658' ' ' VAL . 3.6 p -79.2 148.97 5.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.275 -0.89 . . . . 0.0 110.432 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 39.5 t30 60.07 43.04 14.86 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.38 -0.825 . . . . 0.0 109.767 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 92.6 m -125.42 149.28 48.34 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.426 -0.797 . . . . 0.0 110.102 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -101.37 113.67 26.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.255 -0.903 . . . . 0.0 110.206 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -101.89 157.61 16.73 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.351 -0.843 . . . . 0.0 110.018 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 1.5 p -99.52 178.88 4.73 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.269 -0.895 . . . . 0.0 110.07 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 664' ' ' ALA . . . . . 0.992 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -73.57 124.09 25.23 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.202 -0.936 . . . . 0.0 110.127 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 665' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 92.15 27.78 15.09 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.389 -1.485 . . . . 0.0 109.389 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 666' ' ' GLN . . . . . 0.424 ' O ' ' HA ' ' A' ' 676' ' ' LYS . 1.0 OUTLIER -88.13 177.55 6.87 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.233 -1.157 . . . . 0.0 110.217 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 667' ' ' LEU . . . . . 0.822 HD23 ' N ' ' A' ' 668' ' ' VAL . 2.2 tt -136.56 128.64 29.6 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.229 -0.92 . . . . 0.0 110.454 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 668' ' ' VAL . . . . . 0.822 ' N ' HD23 ' A' ' 667' ' ' LEU . 2.9 m -133.39 164.87 33.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.391 -0.818 . . . . 0.0 109.772 179.701 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 669' ' ' THR . . . . . 0.614 HG22 HG23 ' A' ' 674' ' ' THR . 69.4 p -139.61 125.23 19.35 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.993 -1.067 . . . . 0.0 110.545 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 670' ' ' TYR . . . . . 0.579 ' CE1' ' CD2' ' A' ' 656' ' ' TRP . 61.8 m-85 -101.67 103.15 13.92 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.319 -0.863 . . . . 0.0 109.849 179.56 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 671' ' ' ASN . . . . . 0.462 ' HB2' ' O ' ' A' ' 670' ' ' TYR . 59.9 m-20 56.85 -85.76 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.301 -0.874 . . . . 0.0 110.171 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 672' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 670' ' ' TYR . . . -126.39 33.86 3.35 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 673' ' ' LYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 669' ' ' THR . 17.8 mmtm -129.97 164.37 24.39 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.225 -1.162 . . . . 0.0 110.083 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 674' ' ' THR . . . . . 0.614 HG23 HG22 ' A' ' 669' ' ' THR . 2.6 m -140.09 126.55 20.21 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.132 -0.98 . . . . 0.0 110.605 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 675' ' ' TYR . . . . . 0.952 ' CE2' HD13 ' A' ' 698' ' ' LEU . 87.9 m-85 -122.22 166.55 14.44 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.363 -0.836 . . . . 0.0 110.127 179.612 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 676' ' ' LYS . . . . . 0.492 ' HB2' ' O ' ' A' ' 697' ' ' GLN . 0.7 OUTLIER -129.55 101.18 5.82 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.146 -0.971 . . . . 0.0 110.58 -179.741 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 677' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 665' ' ' GLY . 0.0 OUTLIER -50.15 141.19 11.61 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.315 -0.865 . . . . 0.0 110.059 179.81 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.434 ' O ' HD23 ' A' ' 678' ' ' LEU . 3.3 tt -118.7 -15.74 9.45 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.386 -0.821 . . . . 0.0 110.296 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 679' ' ' GLN . . . . . 0.402 ' HA ' ' HD3' ' A' ' 680' ' ' PRO . 6.3 mt-30 -136.12 140.46 33.08 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.145 -0.972 . . . . 0.0 110.194 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 680' ' ' PRO . . . . . 0.992 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 2.9 Cg_endo -62.5 98.62 0.19 Allowed 'Trans proline' 0 C--N 1.312 -1.348 0 O-C-N 123.522 1.275 . . . . 0.0 110.475 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 681' ' ' HIS . . . . . 0.515 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 4.9 m-70 -137.74 -166.03 1.88 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.239 -0.913 . . . . 0.0 110.072 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 8.2 m -128.03 123.79 35.55 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.247 -0.908 . . . . 0.0 109.847 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 683' ' ' SER . . . . . 0.456 ' C ' HD13 ' A' ' 684' ' ' LEU . 0.3 OUTLIER -87.82 137.94 31.89 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.282 -0.886 . . . . 0.0 109.98 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 684' ' ' LEU . . . . . 0.887 HD13 ' N ' ' A' ' 684' ' ' LEU . 0.0 OUTLIER -141.45 -166.38 2.18 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.302 -0.874 . . . . 0.0 110.592 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -61.65 82.53 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.202 -0.936 . . . . 0.0 110.12 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 686' ' ' GLY . . . . . 0.523 ' O ' ' HD2' ' A' ' 689' ' ' PRO . . . 158.44 -36.32 0.52 Allowed Glycine 0 N--CA 1.489 2.187 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 687' ' ' TRP . . . . . 0.47 ' CZ3' ' HB3' ' A' ' 681' ' ' HIS . 1.8 m0 -84.85 26.96 0.78 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.155 -1.203 . . . . 0.0 110.667 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 688' ' ' GLU . . . . . 0.608 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 5.6 mt-10 -90.88 -45.1 0.38 Allowed Pre-proline 0 N--CA 1.498 1.949 0 O-C-N 121.046 -1.034 . . . . 0.0 111.869 -179.266 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 689' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.6 Cg_endo -68.15 -3.23 10.34 Favored 'Trans proline' 0 C--N 1.315 -1.209 0 O-C-N 122.985 0.992 . . . . 0.0 110.939 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 690' ' ' SER . . . . . 0.449 ' O ' ' OG ' ' A' ' 690' ' ' SER . 1.3 p 65.64 47.37 2.19 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.127 -0.983 . . . . 0.0 109.635 -179.428 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 691' ' ' ASN . . . . . 0.61 ' OD1' HG13 ' A' ' 692' ' ' VAL . 11.1 p30 -83.2 16.25 2.52 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.242 -0.911 . . . . 0.0 110.57 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 692' ' ' VAL . . . . . 0.61 HG13 ' OD1' ' A' ' 691' ' ' ASN . 14.4 m -138.76 76.13 35.46 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.081 -1.012 . . . . 0.0 110.089 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -59.65 -15.92 33.96 Favored 'Trans proline' 0 C--N 1.311 -1.406 0 O-C-N 123.696 1.366 . . . . 0.0 110.505 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -60.69 -42.61 97.48 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.309 -0.869 . . . . 0.0 109.955 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 695' ' ' LEU . . . . . 1.086 HD13 ' N ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -108.69 -13.99 14.7 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.185 -0.947 . . . . 0.0 109.874 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 696' ' ' TRP . . . . . 1.086 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.2 OUTLIER -99.49 127.03 45.53 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.323 -0.861 . . . . 0.0 110.187 179.915 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 697' ' ' GLN . . . . . 0.492 ' O ' ' HB2' ' A' ' 676' ' ' LYS . 6.1 tp-100 -108.77 72.01 0.8 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.254 -0.904 . . . . 0.0 109.602 179.555 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 698' ' ' LEU . . . . . 0.952 HD13 ' CE2' ' A' ' 675' ' ' TYR . 22.4 tp -54.27 156.82 2.98 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.283 -0.886 . . . . 0.0 110.819 -179.371 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 699' ' ' GLN . . . . . 0.51 ' NE2' ' HB ' ' A' ' 674' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.415 -0.803 . . . . 0.0 110.196 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.265 0.555 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 656' ' ' TRP . . . . . 0.548 ' CH2' ' HB ' ' A' ' 658' ' ' VAL . 78.4 t90 -58.66 163.28 3.36 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.235 -0.915 . . . . 0.0 110.369 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 657' ' ' GLN . . . . . 0.418 ' N ' ' CG ' ' A' ' 656' ' ' TRP . 37.5 mt-30 -143.94 134.44 24.76 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.325 -0.86 . . . . 0.0 109.896 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 658' ' ' VAL . . . . . 0.548 ' HB ' ' CH2' ' A' ' 656' ' ' TRP . 3.4 p -77.71 148.2 6.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.261 -0.899 . . . . 0.0 110.763 -179.479 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 659' ' ' ASN . . . . . 0.437 ' CB ' ' O ' ' A' ' 658' ' ' VAL . 4.1 t-20 65.71 51.86 1.38 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.438 -0.789 . . . . 0.0 110.374 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 660' ' ' THR . . . . . 0.561 HG22 ' N ' ' A' ' 661' ' ' ALA . 31.0 m -137.73 169.66 17.4 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.308 -0.87 . . . . 0.0 110.1 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 661' ' ' ALA . . . . . 0.561 ' N ' HG22 ' A' ' 660' ' ' THR . . . -115.16 117.7 31.26 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.297 -0.877 . . . . 0.0 110.478 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -109.93 156.32 20.59 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.163 -0.961 . . . . 0.0 110.179 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.52 170.93 7.65 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.271 -0.893 . . . . 0.0 110.025 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 664' ' ' ALA . . . . . 1.035 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -68.73 103.99 1.89 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.239 -0.913 . . . . 0.0 110.107 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 119.56 28.44 1.93 Allowed Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 666' ' ' GLN . . . . . 0.456 ' O ' ' HA ' ' A' ' 676' ' ' LYS . 0.0 OUTLIER -88.98 170.41 10.69 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.224 -1.162 . . . . 0.0 109.988 179.855 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.22 92.82 2.83 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.165 -0.959 . . . . 0.0 110.398 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 668' ' ' VAL . . . . . 0.433 HG12 ' NE2' ' A' ' 666' ' ' GLN . 2.1 m -100.59 172.75 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.347 -0.846 . . . . 0.0 110.055 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.96 115.97 9.81 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.204 -0.935 . . . . 0.0 109.959 179.249 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 670' ' ' TYR . . . . . 0.588 ' CE2' ' HA ' ' A' ' 688' ' ' GLU . 44.8 m-85 -87.99 -162.48 0.83 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.201 -0.937 . . . . 0.0 109.997 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 671' ' ' ASN . . . . . 0.487 ' O ' ' CG ' ' A' ' 673' ' ' LYS . 3.6 m120 -43.93 96.76 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.084 -1.01 . . . . 0.0 110.245 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 672' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 670' ' ' TYR . . . 46.8 29.35 4.26 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 673' ' ' LYS . . . . . 0.495 ' HB2' ' HB2' ' A' ' 670' ' ' TYR . 18.0 mmtt -119.78 152.5 37.14 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.297 -1.119 . . . . 0.0 110.348 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 674' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.31 126.56 53.5 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.403 -0.811 . . . . 0.0 109.703 179.734 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 675' ' ' TYR . . . . . 0.641 ' CD2' ' HB3' ' A' ' 698' ' ' LEU . 17.6 m-85 -133.27 157.67 44.86 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.223 -0.923 . . . . 0.0 110.676 -179.527 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 676' ' ' LYS . . . . . 0.477 ' HE2' HD12 ' A' ' 678' ' ' LEU . 0.1 OUTLIER -140.56 120.44 13.54 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.329 -0.857 . . . . 0.0 109.904 179.816 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 677' ' ' CYS . . . . . 0.416 ' HB3' ' HB2' ' A' ' 666' ' ' GLN . 0.5 OUTLIER -67.64 142.79 56.29 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.152 -0.968 . . . . 0.0 110.287 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.477 HD12 ' HE2' ' A' ' 676' ' ' LYS . 1.5 tt -120.42 -6.21 9.81 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.242 -0.911 . . . . 0.0 110.114 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 679' ' ' GLN . . . . . 0.511 ' HB3' ' NE2' ' A' ' 681' ' ' HIS . 30.5 mt-30 -140.5 139.45 20.45 Favored Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.261 -0.9 . . . . 0.0 110.098 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 680' ' ' PRO . . . . . 1.035 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.0 Cg_exo -62.99 96.07 0.17 Allowed 'Trans proline' 0 C--N 1.314 -1.256 0 O-C-N 123.486 1.256 . . . . 0.0 110.326 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 681' ' ' HIS . . . . . 0.514 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 17.0 m-70 -138.78 -164.59 1.67 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.211 -0.93 . . . . 0.0 110.308 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 8.2 m -127.84 122.71 33.3 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.307 -0.871 . . . . 0.0 110.089 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.06 142.92 43.68 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.214 -0.929 . . . . 0.0 110.229 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 684' ' ' LEU . . . . . 0.618 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.8 OUTLIER -146.52 178.41 8.31 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.29 -0.881 . . . . 0.0 110.618 -179.906 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -64.51 70.67 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.332 -0.855 . . . . 0.0 110.171 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 686' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . -179.22 -32.93 0.06 OUTLIER Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 32.0 m0 -88.86 38.64 0.89 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.237 -1.155 . . . . 0.0 110.213 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 688' ' ' GLU . . . . . 0.588 ' HA ' ' CE2' ' A' ' 670' ' ' TYR . 1.6 mt-10 -90.01 -48.29 0.38 Allowed Pre-proline 0 N--CA 1.497 1.877 0 O-C-N 121.269 -0.894 . . . . 0.0 110.88 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 689' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.8 Cg_endo -69.1 -5.3 15.46 Favored 'Trans proline' 0 C--N 1.314 -1.253 0 O-C-N 123.281 1.148 . . . . 0.0 110.237 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 690' ' ' SER . . . . . 0.45 ' O ' ' OG ' ' A' ' 690' ' ' SER . 1.7 p 62.67 52.8 2.72 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.441 -0.787 . . . . 0.0 110.134 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 691' ' ' ASN . . . . . 0.737 ' OD1' HG13 ' A' ' 692' ' ' VAL . 26.3 p30 -82.29 16.29 2.09 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.191 -0.943 . . . . 0.0 110.482 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 692' ' ' VAL . . . . . 0.737 HG13 ' OD1' ' A' ' 691' ' ' ASN . 3.4 m -137.22 75.81 45.78 Favored Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.173 -0.954 . . . . 0.0 109.688 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -59.98 -14.01 25.92 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 O-C-N 123.725 1.382 . . . . 0.0 110.772 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 694' ' ' ALA . . . . . 0.433 ' O ' ' OE1' ' A' ' 679' ' ' GLN . . . -67.37 -39.13 85.66 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.247 -0.908 . . . . 0.0 110.408 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 695' ' ' LEU . . . . . 1.108 HD13 ' N ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -114.99 -14.04 11.87 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.171 -0.956 . . . . 0.0 110.378 -179.835 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 696' ' ' TRP . . . . . 1.108 ' N ' HD13 ' A' ' 695' ' ' LEU . 1.6 m95 -111.46 93.84 4.67 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.074 -1.016 . . . . 0.0 110.148 179.659 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 697' ' ' GLN . . . . . 0.453 ' O ' ' HB3' ' A' ' 676' ' ' LYS . 22.4 tt0 -99.65 111.66 23.98 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.181 -0.95 . . . . 0.0 109.611 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 698' ' ' LEU . . . . . 0.641 ' HB3' ' CD2' ' A' ' 675' ' ' TYR . 0.5 OUTLIER -99.84 -167.74 1.5 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.194 -0.941 . . . . 0.0 110.88 -179.211 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 699' ' ' GLN . . . . . 0.541 ' N ' HD12 ' A' ' 698' ' ' LEU . 12.4 pt20 . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.35 -0.844 . . . . 0.0 110.258 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.272 0.558 . . . . 0.0 110.164 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 656' ' ' TRP . . . . . 0.637 ' CD2' ' CE2' ' A' ' 670' ' ' TYR . 89.2 t90 -73.72 170.1 15.96 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.219 -0.926 . . . . 0.0 110.579 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 657' ' ' GLN . . . . . 0.487 ' CG ' ' O ' ' A' ' 656' ' ' TRP . 32.3 mt-30 -156.7 146.7 21.05 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.409 -0.807 . . . . 0.0 109.858 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 658' ' ' VAL . . . . . 0.478 ' O ' ' HB3' ' A' ' 659' ' ' ASN . 4.9 p -86.75 149.01 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.203 -0.936 . . . . 0.0 110.439 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 659' ' ' ASN . . . . . 0.478 ' HB3' ' O ' ' A' ' 658' ' ' VAL . 28.9 t30 64.49 50.57 2.18 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.465 -0.772 . . . . 0.0 110.241 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 660' ' ' THR . . . . . 0.465 ' O ' HG23 ' A' ' 682' ' ' THR . 6.3 m -134.79 172.27 13.2 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.248 -0.908 . . . . 0.0 110.148 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 661' ' ' ALA . . . . . 0.411 ' H ' HG22 ' A' ' 660' ' ' THR . . . -113.57 109.49 18.71 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.229 -0.919 . . . . 0.0 110.06 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -102.53 155.13 18.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.186 -0.946 . . . . 0.0 110.41 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 663' ' ' THR . . . . . 0.445 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 13.9 p -103.07 -166.98 1.33 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.27 -0.894 . . . . 0.0 109.933 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 664' ' ' ALA . . . . . 0.938 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -86.87 148.9 25.17 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.156 -0.965 . . . . 0.0 110.139 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 665' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 63.96 29.45 74.88 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.621 -1.391 . . . . 0.0 109.621 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 666' ' ' GLN . . . . . 0.456 ' HB2' ' HB3' ' A' ' 677' ' ' CYS . 0.0 OUTLIER -86.91 171.86 10.49 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.218 -1.166 . . . . 0.0 110.099 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.63 125.91 39.12 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.219 -0.926 . . . . 0.0 110.303 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 668' ' ' VAL . . . . . 0.568 ' CG2' ' HB2' ' A' ' 675' ' ' TYR . 3.0 m -135.69 160.91 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.345 -0.847 . . . . 0.0 110.0 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 669' ' ' THR . . . . . 0.492 ' HA ' ' O ' ' A' ' 673' ' ' LYS . 34.8 p -140.39 122.5 15.73 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.246 -0.909 . . . . 0.0 110.113 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 670' ' ' TYR . . . . . 0.637 ' CE2' ' CD2' ' A' ' 656' ' ' TRP . 71.7 m-85 -90.06 89.21 7.59 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.193 -0.942 . . . . 0.0 110.193 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 671' ' ' ASN . . . . . 0.453 ' HB2' ' O ' ' A' ' 670' ' ' TYR . 6.1 m120 64.31 -69.74 0.08 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.383 -0.823 . . . . 0.0 110.465 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 672' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 670' ' ' TYR . . . -138.1 22.3 3.1 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.722 -1.351 . . . . 0.0 109.722 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 673' ' ' LYS . . . . . 0.492 ' O ' ' HA ' ' A' ' 669' ' ' THR . 7.4 mmtp -115.25 146.29 41.61 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.105 -1.232 . . . . 0.0 110.337 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 674' ' ' THR . . . . . 0.427 ' HB ' ' HG3' ' A' ' 699' ' ' GLN . 1.9 m -103.24 127.56 50.51 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.366 -0.833 . . . . 0.0 109.993 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 675' ' ' TYR . . . . . 0.571 ' CE1' ' CB ' ' A' ' 698' ' ' LEU . 28.4 m-85 -133.53 155.2 50.02 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.174 -0.954 . . . . 0.0 110.603 -179.701 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.87 113.81 10.5 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.367 -0.833 . . . . 0.0 110.099 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 677' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 665' ' ' GLY . 4.8 t -69.05 141.96 54.66 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.289 -0.882 . . . . 0.0 110.1 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.487 HD13 ' HB2' ' A' ' 697' ' ' GLN . 2.1 mp -113.78 -20.0 11.3 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.242 -0.911 . . . . 0.0 110.256 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 679' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 678' ' ' LEU . 91.2 mm-40 -136.06 145.99 54.7 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.342 -0.849 . . . . 0.0 110.275 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 680' ' ' PRO . . . . . 0.938 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 2.9 Cg_endo -62.12 106.3 0.46 Allowed 'Trans proline' 0 C--N 1.311 -1.402 0 O-C-N 123.639 1.337 . . . . 0.0 110.496 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 681' ' ' HIS . . . . . 0.509 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 22.2 m-70 -142.49 174.31 10.74 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.185 -0.947 . . . . 0.0 110.215 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 682' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 660' ' ' THR . 94.9 m -111.36 121.7 45.92 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.223 -0.923 . . . . 0.0 110.419 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.57 148.58 36.95 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.226 -0.921 . . . . 0.0 109.896 179.753 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 684' ' ' LEU . . . . . 0.673 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.9 OUTLIER -149.91 -179.39 7.1 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.081 -1.012 . . . . 0.0 110.605 -179.822 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -63.95 78.03 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.315 -0.866 . . . . 0.0 110.08 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 686' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 169.39 -35.17 0.18 Allowed Glycine 0 N--CA 1.49 2.233 0 N-CA-C 109.376 -1.49 . . . . 0.0 109.376 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 30.7 m0 -87.22 33.34 0.68 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.234 -1.157 . . . . 0.0 110.105 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 688' ' ' GLU . . . . . 0.597 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.8 mt-10 -87.35 -48.65 0.47 Allowed Pre-proline 0 N--CA 1.495 1.795 0 O-C-N 121.304 -0.873 . . . . 0.0 110.038 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 689' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.6 Cg_endo -70.71 -3.98 13.73 Favored 'Trans proline' 0 C--N 1.314 -1.266 0 O-C-N 123.389 1.205 . . . . 0.0 110.075 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 690' ' ' SER . . . . . 0.5 ' O ' ' OG ' ' A' ' 690' ' ' SER . 1.7 p 67.06 67.57 0.41 Allowed 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 121.733 0.778 . . . . 0.0 109.967 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -90.14 -1.1 57.9 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.165 -0.959 . . . . 0.0 110.92 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 692' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 692' ' ' VAL . 25.4 m -126.03 83.68 62.74 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.003 -1.061 . . . . 0.0 110.61 -179.682 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -60.98 -12.35 22.19 Favored 'Trans proline' 0 C--N 1.31 -1.46 0 O-C-N 123.54 1.284 . . . . 0.0 110.487 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -58.38 -37.69 75.77 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.338 -0.851 . . . . 0.0 110.386 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 695' ' ' LEU . . . . . 1.086 HD13 ' N ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -123.45 -12.66 7.72 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.169 -0.957 . . . . 0.0 110.362 -179.747 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 696' ' ' TRP . . . . . 1.086 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.6 OUTLIER -100.36 103.67 15.07 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.101 -0.999 . . . . 0.0 110.2 179.752 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 697' ' ' GLN . . . . . 0.487 ' HB2' HD13 ' A' ' 678' ' ' LEU . 14.2 tp60 -100.29 91.96 4.97 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.279 -0.888 . . . . 0.0 110.037 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 698' ' ' LEU . . . . . 0.922 HD12 ' N ' ' A' ' 699' ' ' GLN . 0.3 OUTLIER -90.65 165.68 13.58 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.237 -0.914 . . . . 0.0 110.415 -179.682 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 699' ' ' GLN . . . . . 0.922 ' N ' HD12 ' A' ' 698' ' ' LEU . 1.4 pp0? . . . . . 0 N--CA 1.491 1.62 0 O-C-N 121.369 -0.832 . . . . 0.0 110.189 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 655' ' ' ALA . . . . . 0.493 ' HB1' ' O ' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.287 0.565 . . . . 0.0 110.326 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 656' ' ' TRP . . . . . 0.679 ' CD2' ' CE2' ' A' ' 670' ' ' TYR . 66.9 t90 -68.48 132.32 46.78 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.241 -0.912 . . . . 0.0 110.386 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -123.83 164.63 18.82 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.319 -0.863 . . . . 0.0 110.007 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 658' ' ' VAL . . . . . 0.572 HG12 ' CH2' ' A' ' 656' ' ' TRP . 15.3 m -89.2 154.78 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.275 -0.891 . . . . 0.0 110.171 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 659' ' ' ASN . . . . . 0.416 ' CB ' ' O ' ' A' ' 658' ' ' VAL . 10.5 t-20 63.5 50.01 2.96 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.238 -0.914 . . . . 0.0 109.994 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 660' ' ' THR . . . . . 0.701 ' O ' HG23 ' A' ' 682' ' ' THR . 91.7 m -135.79 161.4 35.7 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.249 -0.907 . . . . 0.0 110.319 -179.723 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -109.69 127.89 54.89 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.233 -0.917 . . . . 0.0 110.102 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 662' ' ' TYR . . . . . 0.442 ' HD2' ' HG ' ' A' ' 683' ' ' SER . 15.5 m-85 -118.59 157.07 28.06 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.205 -0.934 . . . . 0.0 110.342 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.41 167.97 9.4 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.177 -0.952 . . . . 0.0 109.949 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 664' ' ' ALA . . . . . 1.025 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -66.94 121.91 16.57 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.199 -0.938 . . . . 0.0 110.26 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 96.18 25.45 12.63 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 666' ' ' GLN . . . . . 0.456 ' HA ' ' OE1' ' A' ' 666' ' ' GLN . 0.0 OUTLIER -83.5 172.31 12.52 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.144 -1.21 . . . . 0.0 110.282 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 667' ' ' LEU . . . . . 0.723 HD23 ' HB2' ' A' ' 676' ' ' LYS . 26.8 mt -137.6 95.99 3.16 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.289 -0.882 . . . . 0.0 110.179 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 668' ' ' VAL . . . . . 0.438 HG21 ' HD1' ' A' ' 656' ' ' TRP . 2.6 m -105.68 176.55 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.419 -0.8 . . . . 0.0 109.988 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 669' ' ' THR . . . . . 0.493 ' O ' ' HB1' ' A' ' 655' ' ' ALA . 74.7 p -140.47 113.51 8.35 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.271 -0.893 . . . . 0.0 110.111 179.593 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 670' ' ' TYR . . . . . 0.679 ' CE2' ' CD2' ' A' ' 656' ' ' TRP . 72.4 m-85 -79.73 -165.35 0.79 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.253 -0.905 . . . . 0.0 109.926 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -47.25 95.46 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.117 -0.989 . . . . 0.0 109.773 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 672' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 670' ' ' TYR . . . 51.95 33.66 36.8 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 109.019 -1.632 . . . . 0.0 109.019 -179.566 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 673' ' ' LYS . . . . . 0.491 ' O ' ' HA ' ' A' ' 669' ' ' THR . 8.1 mmtt -124.11 145.77 49.05 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.355 -1.085 . . . . 0.0 110.361 -179.627 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 674' ' ' THR . . . . . 0.42 ' O ' ' HB2' ' A' ' 698' ' ' LEU . 0.2 OUTLIER -104.79 120.49 41.5 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.322 -0.861 . . . . 0.0 109.471 179.565 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 675' ' ' TYR . . . . . 0.619 ' CD2' ' HB3' ' A' ' 698' ' ' LEU . 14.8 m-85 -131.86 159.5 38.39 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.18 -0.95 . . . . 0.0 111.096 -179.16 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 676' ' ' LYS . . . . . 0.723 ' HB2' HD23 ' A' ' 667' ' ' LEU . 0.0 OUTLIER -140.48 118.96 12.22 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.415 -0.803 . . . . 0.0 109.668 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.13 148.67 49.61 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.25 -0.906 . . . . 0.0 110.575 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 678' ' ' LEU . 1.2 tt -121.1 -13.03 8.62 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.33 -0.856 . . . . 0.0 110.511 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 679' ' ' GLN . . . . . 0.516 ' HB3' ' CD2' ' A' ' 681' ' ' HIS . 0.0 OUTLIER -136.76 145.12 49.68 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.105 -0.997 . . . . 0.0 110.316 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 680' ' ' PRO . . . . . 1.025 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.1 Cg_exo -62.14 111.63 1.31 Allowed 'Trans proline' 0 C--N 1.312 -1.359 0 O-C-N 123.651 1.343 . . . . 0.0 110.801 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 681' ' ' HIS . . . . . 0.542 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 35.1 m-70 -156.01 -160.95 1.07 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.272 -0.893 . . . . 0.0 110.079 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 682' ' ' THR . . . . . 0.701 HG23 ' O ' ' A' ' 660' ' ' THR . 5.8 m -136.9 134.2 36.56 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.042 -1.036 . . . . 0.0 110.617 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 683' ' ' SER . . . . . 0.442 ' HG ' ' HD2' ' A' ' 662' ' ' TYR . 55.6 m -80.76 149.12 29.77 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.306 -0.871 . . . . 0.0 109.796 179.516 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 684' ' ' LEU . . . . . 0.635 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.6 OUTLIER -154.36 -177.53 6.52 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.336 -0.852 . . . . 0.0 110.396 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -64.65 77.25 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.284 -0.885 . . . . 0.0 110.334 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 686' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 169.12 -31.92 0.17 Allowed Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.844 -1.302 . . . . 0.0 109.844 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 687' ' ' TRP . . . . . 0.552 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 35.0 m0 -86.43 32.52 0.64 Allowed 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.065 -1.256 . . . . 0.0 110.42 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 688' ' ' GLU . . . . . 0.599 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.1 mt-10 -89.12 -48.08 0.41 Allowed Pre-proline 0 N--CA 1.495 1.815 0 O-C-N 121.138 -0.976 . . . . 0.0 110.663 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 689' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.5 Cg_endo -70.35 -0.73 7.84 Favored 'Trans proline' 0 C--N 1.314 -1.256 0 O-C-N 123.279 1.147 . . . . 0.0 110.779 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 690' ' ' SER . . . . . 0.455 ' O ' ' OG ' ' A' ' 690' ' ' SER . 3.9 p 60.12 53.53 4.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.227 -0.921 . . . . 0.0 110.024 -179.454 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 691' ' ' ASN . . . . . 0.439 ' OD1' HG13 ' A' ' 692' ' ' VAL . 9.6 p30 -84.89 17.11 2.98 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.269 -0.894 . . . . 0.0 110.382 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 692' ' ' VAL . . . . . 0.439 HG13 ' OD1' ' A' ' 691' ' ' ASN . 3.4 m -136.99 78.33 41.27 Favored Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.268 -0.895 . . . . 0.0 109.822 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -62.6 -9.45 15.97 Favored 'Trans proline' 0 C--N 1.311 -1.411 0 O-C-N 123.713 1.375 . . . . 0.0 110.781 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -74.47 -29.18 61.35 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.158 -0.964 . . . . 0.0 110.795 -179.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 695' ' ' LEU . . . . . 1.087 HD13 ' N ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -124.98 -12.7 6.97 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.968 -1.082 . . . . 0.0 110.921 -179.485 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 696' ' ' TRP . . . . . 1.087 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.8 OUTLIER -111.25 93.12 4.32 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.972 -1.08 . . . . 0.0 110.173 179.775 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 697' ' ' GLN . . . . . 0.469 ' HG2' ' HD2' ' A' ' 676' ' ' LYS . 1.8 tt0 -99.57 109.36 21.88 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.294 -0.879 . . . . 0.0 109.222 179.503 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 698' ' ' LEU . . . . . 0.707 HD12 ' N ' ' A' ' 699' ' ' GLN . 0.7 OUTLIER -96.02 -167.27 1.56 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.097 -1.002 . . . . 0.0 111.051 -179.216 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 699' ' ' GLN . . . . . 0.707 ' N ' HD12 ' A' ' 698' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.475 -0.766 . . . . 0.0 110.28 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 655' ' ' ALA . . . . . 0.517 ' N ' ' HG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.228 0.537 . . . . 0.0 110.231 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 656' ' ' TRP . . . . . 0.646 ' CD2' ' CE2' ' A' ' 670' ' ' TYR . 50.0 t90 -55.07 145.52 20.56 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.2 -0.937 . . . . 0.0 110.219 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -120.7 137.36 54.52 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.329 -0.857 . . . . 0.0 110.049 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 658' ' ' VAL . . . . . 0.537 HG22 ' CZ3' ' A' ' 656' ' ' TRP . 3.7 t -76.16 144.67 11.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.219 -0.926 . . . . 0.0 110.116 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 659' ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' ' 658' ' ' VAL . 1.4 t-20 65.69 55.75 0.97 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.248 -0.907 . . . . 0.0 110.305 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 91.2 m -140.09 138.63 35.48 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.212 -0.93 . . . . 0.0 110.233 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -83.08 113.49 20.65 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.238 -0.913 . . . . 0.0 110.111 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 662' ' ' TYR . . . . . 0.525 ' O ' ' HA ' ' A' ' 680' ' ' PRO . 46.3 m-85 -102.46 152.42 21.14 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.216 -0.928 . . . . 0.0 110.38 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 663' ' ' THR . . . . . 0.436 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 23.3 p -99.87 162.91 12.7 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.376 -0.828 . . . . 0.0 110.243 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 664' ' ' ALA . . . . . 0.966 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -57.5 133.93 55.65 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.274 -0.891 . . . . 0.0 110.16 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 665' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 81.75 29.32 39.4 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 666' ' ' GLN . . . . . 0.55 ' CB ' ' HB2' ' A' ' 677' ' ' CYS . 1.0 OUTLIER -85.35 164.37 18.0 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.271 -1.135 . . . . 0.0 110.067 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 667' ' ' LEU . . . . . 0.666 HD13 ' C ' ' A' ' 667' ' ' LEU . 1.7 tm? -127.5 106.74 9.39 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.319 -0.863 . . . . 0.0 110.32 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 668' ' ' VAL . . . . . 0.528 ' CG2' ' HB2' ' A' ' 675' ' ' TYR . 2.9 m -118.11 167.24 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.153 -0.967 . . . . 0.0 109.952 179.682 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 669' ' ' THR . . . . . 0.544 ' HA ' ' O ' ' A' ' 673' ' ' LYS . 60.7 p -140.51 111.6 7.11 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.185 -0.947 . . . . 0.0 110.365 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 670' ' ' TYR . . . . . 0.646 ' CE2' ' CD2' ' A' ' 656' ' ' TRP . 78.3 m-85 -80.19 -167.13 1.2 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.112 -0.993 . . . . 0.0 109.762 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -54.77 92.11 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.187 -0.946 . . . . 0.0 110.308 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 672' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 670' ' ' TYR . . . 66.39 37.31 92.65 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 673' ' ' LYS . . . . . 0.544 ' O ' ' HA ' ' A' ' 669' ' ' THR . 6.9 mptt -140.13 148.78 42.17 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.315 -1.109 . . . . 0.0 110.328 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 674' ' ' THR . . . . . 0.742 ' O ' HD12 ' A' ' 698' ' ' LEU . 85.0 m -120.18 116.42 25.59 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.455 -0.778 . . . . 0.0 109.649 179.405 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 675' ' ' TYR . . . . . 0.903 ' CE1' HD13 ' A' ' 698' ' ' LEU . 27.6 m-85 -114.82 168.8 9.58 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.218 -0.926 . . . . 0.0 110.959 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 676' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 697' ' ' GLN . 0.0 OUTLIER -138.44 102.77 4.71 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.548 -0.72 . . . . 0.0 110.209 -179.704 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 677' ' ' CYS . . . . . 0.55 ' HB2' ' CB ' ' A' ' 666' ' ' GLN . 0.0 OUTLIER -58.29 143.88 43.15 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.127 -0.983 . . . . 0.0 110.065 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 3.0 tp -116.36 -19.99 9.91 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.286 -0.884 . . . . 0.0 110.649 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 679' ' ' GLN . . . . . 0.425 ' HB3' ' NE2' ' A' ' 681' ' ' HIS . 11.8 mm100 -135.84 143.36 44.16 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 120.993 -1.067 . . . . 0.0 110.571 -179.727 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 680' ' ' PRO . . . . . 0.966 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 2.8 Cg_endo -63.35 92.76 0.16 Allowed 'Trans proline' 0 C--N 1.314 -1.246 0 O-C-N 123.582 1.307 . . . . 0.0 110.228 179.651 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 681' ' ' HIS . . . . . 0.425 ' NE2' ' HB3' ' A' ' 679' ' ' GLN . 10.5 m-70 -131.0 -166.07 1.65 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.248 -0.908 . . . . 0.0 110.355 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 4.1 m -126.03 118.96 26.42 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.256 -0.903 . . . . 0.0 110.343 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 49.4 m -90.08 140.44 29.65 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.239 -0.913 . . . . 0.0 109.717 179.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 684' ' ' LEU . . . . . 0.892 HD13 ' N ' ' A' ' 684' ' ' LEU . 0.0 OUTLIER -137.22 -167.67 2.15 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.262 -0.899 . . . . 0.0 110.888 -179.652 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -67.01 82.05 0.11 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.347 -0.846 . . . . 0.0 110.26 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 686' ' ' GLY . . . . . 0.448 ' O ' ' HD2' ' A' ' 689' ' ' PRO . . . 164.87 -31.48 0.24 Allowed Glycine 0 N--CA 1.489 2.223 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 2.3 m0 -86.72 32.89 0.65 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.117 -1.225 . . . . 0.0 110.464 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 688' ' ' GLU . . . . . 0.612 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 2.5 mt-10 -86.31 -45.83 0.57 Allowed Pre-proline 0 N--CA 1.494 1.762 0 O-C-N 121.168 -0.957 . . . . 0.0 110.704 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 689' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.8 Cg_endo -68.41 -6.36 17.37 Favored 'Trans proline' 0 C--N 1.315 -1.186 0 O-C-N 123.21 1.11 . . . . 0.0 110.05 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 690' ' ' SER . . . . . 0.495 ' O ' ' OG ' ' A' ' 690' ' ' SER . 1.3 p 68.72 56.48 0.44 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.439 -0.788 . . . . 0.0 109.81 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -79.56 6.34 10.73 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.23 -0.919 . . . . 0.0 110.569 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 692' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 692' ' ' VAL . 18.3 m -137.89 81.69 27.44 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.071 -1.018 . . . . 0.0 110.521 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.05 -20.99 70.15 Favored 'Trans proline' 0 C--N 1.311 -1.435 0 O-C-N 123.745 1.392 . . . . 0.0 110.534 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -49.87 -37.72 32.36 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.209 -0.932 . . . . 0.0 110.12 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 695' ' ' LEU . . . . . 1.063 HD13 ' N ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -122.68 -12.15 8.13 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.26 -0.9 . . . . 0.0 110.311 -179.917 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 696' ' ' TRP . . . . . 1.063 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.8 OUTLIER -103.66 101.47 11.32 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.002 -1.061 . . . . 0.0 110.024 179.552 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 697' ' ' GLN . . . . . 0.405 ' O ' ' HB2' ' A' ' 676' ' ' LYS . 35.1 tp60 -100.93 97.54 8.12 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.193 -0.942 . . . . 0.0 110.158 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 698' ' ' LEU . . . . . 0.903 HD13 ' CE1' ' A' ' 675' ' ' TYR . 20.5 tp -75.01 160.26 30.75 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.162 -0.961 . . . . 0.0 110.246 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 699' ' ' GLN . . . . . 0.531 ' N ' ' HG ' ' A' ' 698' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.238 -0.914 . . . . 0.0 110.164 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 655' ' ' ALA . . . . . 0.433 ' HA ' ' OG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.247 0.546 . . . . 0.0 110.191 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 656' ' ' TRP . . . . . 0.505 ' CD2' ' CE2' ' A' ' 670' ' ' TYR . 67.1 t90 -76.23 155.61 34.27 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.232 -0.917 . . . . 0.0 110.222 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -151.98 119.07 5.86 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.254 -0.903 . . . . 0.0 110.013 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 658' ' ' VAL . . . . . . . . . . . . . 3.1 p -50.98 149.87 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.181 -0.949 . . . . 0.0 110.254 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 60.95 52.29 4.21 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.279 -0.888 . . . . 0.0 110.026 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 50.5 m -140.22 139.37 35.61 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.256 -0.903 . . . . 0.0 110.407 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -77.69 143.54 38.03 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.184 -0.948 . . . . 0.0 110.353 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 662' ' ' TYR . . . . . 0.429 ' O ' ' HA ' ' A' ' 680' ' ' PRO . 29.0 m-85 -137.82 148.79 45.79 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.29 -0.881 . . . . 0.0 110.274 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 40.6 p -100.03 178.36 4.82 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.255 -0.903 . . . . 0.0 110.093 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 664' ' ' ALA . . . . . 1.079 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -81.83 131.47 35.26 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.228 -0.92 . . . . 0.0 110.195 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 665' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 85.97 26.93 32.88 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 666' ' ' GLN . . . . . 0.452 ' O ' ' HG ' ' A' ' 667' ' ' LEU . 0.0 OUTLIER -89.14 -178.2 5.61 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.144 -1.209 . . . . 0.0 109.815 179.773 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 667' ' ' LEU . . . . . 0.456 ' HA ' ' HA ' ' A' ' 676' ' ' LYS . 9.1 mt -142.68 99.38 3.47 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.014 -1.054 . . . . 0.0 110.907 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 668' ' ' VAL . . . . . . . . . . . . . 3.4 m -107.02 174.85 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.353 -0.842 . . . . 0.0 109.463 179.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 669' ' ' THR . . . . . 0.516 ' HA ' ' O ' ' A' ' 673' ' ' LYS . 68.1 p -139.75 127.01 21.24 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.951 -1.093 . . . . 0.0 110.22 179.729 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 670' ' ' TYR . . . . . 0.577 ' CE2' ' HA ' ' A' ' 688' ' ' GLU . 87.9 m-85 -95.22 91.82 6.47 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.089 -1.007 . . . . 0.0 110.514 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 43.53 85.09 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.32 -0.862 . . . . 0.0 110.726 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . 69.64 3.29 40.6 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 673' ' ' LYS . . . . . 0.519 ' HB2' ' HB2' ' A' ' 670' ' ' TYR . 3.4 mmtm -102.78 142.68 33.51 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.042 -1.269 . . . . 0.0 110.489 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 674' ' ' THR . . . . . 0.471 ' HB ' ' HG3' ' A' ' 699' ' ' GLN . 0.2 OUTLIER -104.25 115.68 30.82 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.34 -0.85 . . . . 0.0 109.934 179.754 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 675' ' ' TYR . . . . . 0.637 ' CE2' ' CB ' ' A' ' 690' ' ' SER . 17.9 m-85 -133.47 164.37 27.29 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.291 -0.88 . . . . 0.0 110.855 -179.542 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 676' ' ' LYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 667' ' ' LEU . 0.0 OUTLIER -141.24 143.02 33.91 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.519 -0.738 . . . . 0.0 109.74 179.584 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 677' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 665' ' ' GLY . 4.9 t -87.68 144.22 26.76 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.091 -1.006 . . . . 0.0 109.979 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.405 ' O ' ' HB1' ' A' ' 664' ' ' ALA . 0.0 OUTLIER -109.97 -22.52 11.8 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.229 -0.919 . . . . 0.0 110.231 -179.896 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 679' ' ' GLN . . . . . 0.408 ' HA ' ' HD3' ' A' ' 680' ' ' PRO . 2.1 mt-30 -133.91 143.44 47.47 Favored Pre-proline 0 N--CA 1.493 1.696 0 O-C-N 121.296 -0.878 . . . . 0.0 110.249 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 680' ' ' PRO . . . . . 1.079 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 2.8 Cg_endo -62.99 100.44 0.25 Allowed 'Trans proline' 0 C--N 1.312 -1.386 0 O-C-N 123.562 1.296 . . . . 0.0 110.467 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 681' ' ' HIS . . . . . 0.507 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 7.6 m-70 -139.81 -173.12 3.55 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.209 -0.932 . . . . 0.0 110.059 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 42.3 m -118.25 121.92 41.66 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.135 -0.978 . . . . 0.0 110.26 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 683' ' ' SER . . . . . 0.418 ' OG ' ' NE1' ' A' ' 656' ' ' TRP . 1.2 t -71.3 144.23 50.04 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.266 -0.896 . . . . 0.0 109.883 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 684' ' ' LEU . . . . . 0.6 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.8 OUTLIER -146.77 -177.17 5.51 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.27 -0.894 . . . . 0.0 110.584 -179.877 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -64.25 73.23 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.391 -0.818 . . . . 0.0 110.241 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 686' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 176.75 -33.23 0.08 OUTLIER Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 37.9 m0 -86.59 33.03 0.64 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.219 -1.165 . . . . 0.0 110.296 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 688' ' ' GLU . . . . . 0.587 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.9 mt-10 -89.62 -48.71 0.39 Allowed Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 121.187 -0.945 . . . . 0.0 110.428 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 689' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.5 Cg_endo -70.46 -4.64 14.9 Favored 'Trans proline' 0 C--N 1.313 -1.291 0 O-C-N 123.242 1.127 . . . . 0.0 109.942 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 690' ' ' SER . . . . . 0.637 ' CB ' ' CE2' ' A' ' 675' ' ' TYR . 0.1 OUTLIER 56.72 44.8 22.99 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.365 -0.835 . . . . 0.0 109.471 -179.295 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 691' ' ' ASN . . . . . 0.632 ' OD1' HG13 ' A' ' 692' ' ' VAL . 14.5 p30 -79.93 6.59 10.85 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.451 -0.781 . . . . 0.0 110.009 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 692' ' ' VAL . . . . . 0.632 HG13 ' OD1' ' A' ' 691' ' ' ASN . 6.7 m -122.8 81.5 49.23 Favored Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.311 -0.868 . . . . 0.0 109.884 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -61.37 -15.58 41.59 Favored 'Trans proline' 0 C--N 1.309 -1.501 0 O-C-N 123.788 1.415 . . . . 0.0 110.277 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -57.6 -27.05 62.38 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.327 -0.858 . . . . 0.0 110.494 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 695' ' ' LEU . . . . . 0.978 ' O ' HD22 ' A' ' 695' ' ' LEU . 0.0 OUTLIER -140.99 5.05 1.91 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.132 -0.98 . . . . 0.0 111.002 179.921 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 696' ' ' TRP . . . . . 0.635 ' N ' HD13 ' A' ' 695' ' ' LEU . 2.1 m95 -129.18 92.94 3.47 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.036 -1.04 . . . . 0.0 110.471 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -100.95 135.22 42.75 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.219 -0.926 . . . . 0.0 109.619 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 698' ' ' LEU . . . . . 0.687 HD12 ' N ' ' A' ' 699' ' ' GLN . 0.9 OUTLIER -114.12 -172.36 2.08 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.868 -1.145 . . . . 0.0 110.974 -179.373 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 699' ' ' GLN . . . . . 0.687 ' N ' HD12 ' A' ' 698' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.489 -0.757 . . . . 0.0 110.212 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 655' ' ' ALA . . . . . 0.464 ' HA ' ' OG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.113 0.482 . . . . 0.0 110.074 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 656' ' ' TRP . . . . . 0.501 ' CD2' ' CE1' ' A' ' 670' ' ' TYR . 52.2 t90 -63.74 138.59 58.55 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.176 -0.953 . . . . 0.0 110.205 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -122.47 116.43 23.93 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.355 -0.841 . . . . 0.0 110.152 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 658' ' ' VAL . . . . . 0.438 ' H ' HG12 ' A' ' 658' ' ' VAL . 2.8 p -59.13 155.45 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.253 -0.904 . . . . 0.0 110.181 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 48.69 63.27 2.17 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.322 -0.861 . . . . 0.0 109.859 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 660' ' ' THR . . . . . 0.447 ' O ' ' HA ' ' A' ' 682' ' ' THR . 29.8 m -140.32 158.12 44.52 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.319 -0.863 . . . . 0.0 110.403 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -99.18 112.9 24.94 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.328 -0.858 . . . . 0.0 110.236 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -113.86 138.5 50.22 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.237 -0.914 . . . . 0.0 110.166 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 663' ' ' THR . . . . . 0.459 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 60.4 p -100.43 149.35 23.75 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.268 -0.895 . . . . 0.0 110.11 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 664' ' ' ALA . . . . . 0.975 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -42.68 132.95 3.61 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.281 -0.887 . . . . 0.0 110.292 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 92.92 21.33 30.99 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.767 -1.333 . . . . 0.0 109.767 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 666' ' ' GLN . . . . . 0.563 ' CB ' ' HB2' ' A' ' 677' ' ' CYS . 1.1 mm-40 -88.48 -179.64 6.12 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.185 -1.185 . . . . 0.0 109.99 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 667' ' ' LEU . . . . . 0.475 ' HA ' ' HA ' ' A' ' 676' ' ' LYS . 3.3 mt -147.12 116.26 6.92 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.109 -0.994 . . . . 0.0 110.62 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 668' ' ' VAL . . . . . 0.426 ' HB ' ' HA ' ' A' ' 656' ' ' TRP . 3.1 m -124.45 169.37 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.381 -0.824 . . . . 0.0 109.731 179.641 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 669' ' ' THR . . . . . 0.495 ' HA ' ' O ' ' A' ' 673' ' ' LYS . 1.6 p -140.69 115.22 9.45 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.157 -0.964 . . . . 0.0 110.225 179.686 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 670' ' ' TYR . . . . . 0.561 ' CE1' ' HA ' ' A' ' 688' ' ' GLU . 97.7 m-85 -86.51 -161.74 0.69 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.191 -0.943 . . . . 0.0 109.95 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 671' ' ' ASN . . . . . 0.426 ' OD1' ' C ' ' A' ' 671' ' ' ASN . 8.8 t-20 -45.19 93.34 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.267 -0.896 . . . . 0.0 110.068 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 672' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 670' ' ' TYR . . . 50.82 32.56 26.12 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.407 -1.477 . . . . 0.0 109.407 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 673' ' ' LYS . . . . . 0.495 ' O ' ' HA ' ' A' ' 669' ' ' THR . 0.1 OUTLIER -120.16 141.03 50.24 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.311 -1.111 . . . . 0.0 110.445 -179.715 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 674' ' ' THR . . . . . 0.473 ' O ' ' HB2' ' A' ' 698' ' ' LEU . 0.2 OUTLIER -103.04 119.35 38.69 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.169 -0.957 . . . . 0.0 109.853 179.59 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 675' ' ' TYR . . . . . 0.604 ' CE2' ' HB3' ' A' ' 698' ' ' LEU . 25.8 m-85 -132.13 160.96 34.48 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.115 -0.991 . . . . 0.0 110.896 -179.446 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 676' ' ' LYS . . . . . 0.544 ' CG ' ' HB3' ' A' ' 697' ' ' GLN . 0.5 OUTLIER -140.5 138.53 34.66 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.481 -0.762 . . . . 0.0 109.597 179.303 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 677' ' ' CYS . . . . . 0.563 ' HB2' ' CB ' ' A' ' 666' ' ' GLN . 0.0 OUTLIER -80.4 133.75 35.93 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.159 -0.963 . . . . 0.0 110.595 -179.495 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' A' ' 695' ' ' LEU . 3.6 mm? -105.47 -21.08 13.29 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.304 -0.873 . . . . 0.0 110.121 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 679' ' ' GLN . . . . . 0.405 ' HB2' ' CD2' ' A' ' 681' ' ' HIS . 38.5 mt-30 -133.35 142.92 45.99 Favored Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.25 -0.906 . . . . 0.0 109.974 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 680' ' ' PRO . . . . . 0.975 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 2.9 Cg_endo -60.35 94.9 0.1 Allowed 'Trans proline' 0 C--N 1.312 -1.389 0 O-C-N 123.583 1.307 . . . . 0.0 110.914 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 681' ' ' HIS . . . . . 0.457 ' HB3' ' CZ3' ' A' ' 687' ' ' TRP . 11.4 m-70 -137.01 163.7 30.11 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.201 -0.937 . . . . 0.0 110.109 179.691 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 682' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' A' ' 660' ' ' THR . 97.0 m -100.58 128.95 46.47 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.267 -0.896 . . . . 0.0 110.425 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.6 151.61 37.8 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.307 -0.871 . . . . 0.0 110.112 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 684' ' ' LEU . . . . . 0.709 ' H ' HD23 ' A' ' 684' ' ' LEU . 1.0 OUTLIER -153.37 179.27 8.92 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.324 -0.86 . . . . 0.0 110.421 179.897 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -64.56 69.75 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.24 -0.912 . . . . 0.0 110.165 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 686' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . -178.22 -32.97 0.05 OUTLIER Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 687' ' ' TRP . . . . . 0.457 ' CZ3' ' HB3' ' A' ' 681' ' ' HIS . 36.1 m0 -87.64 35.09 0.71 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.251 -1.147 . . . . 0.0 110.066 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 688' ' ' GLU . . . . . 0.584 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.1 mt-10 -89.84 -48.72 0.39 Allowed Pre-proline 0 N--CA 1.494 1.743 0 O-C-N 121.258 -0.901 . . . . 0.0 110.181 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 689' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.8 Cg_endo -71.73 -5.64 17.48 Favored 'Trans proline' 0 C--N 1.314 -1.283 0 O-C-N 123.217 1.114 . . . . 0.0 109.957 179.573 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 690' ' ' SER . . . . . 0.446 ' HB3' ' CE2' ' A' ' 675' ' ' TYR . 0.7 OUTLIER 64.16 61.54 0.91 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.394 -0.816 . . . . 0.0 110.124 -179.872 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -85.85 14.02 6.56 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.324 -0.86 . . . . 0.0 110.42 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 692' ' ' VAL . . . . . 0.493 HG23 ' CD1' ' A' ' 695' ' ' LEU . 17.9 m -140.05 76.96 26.63 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.041 -1.037 . . . . 0.0 110.547 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -60.84 -20.76 67.92 Favored 'Trans proline' 0 C--N 1.31 -1.488 0 O-C-N 123.594 1.313 . . . . 0.0 110.435 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -55.16 -40.48 70.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.334 -0.854 . . . . 0.0 110.316 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 695' ' ' LEU . . . . . 1.095 HD13 ' N ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -113.94 -14.49 12.45 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.099 -1.001 . . . . 0.0 110.008 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 696' ' ' TRP . . . . . 1.095 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.5 OUTLIER -106.25 99.91 9.47 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.289 -0.882 . . . . 0.0 109.552 179.292 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 697' ' ' GLN . . . . . 0.544 ' HB3' ' CG ' ' A' ' 676' ' ' LYS . 5.1 tp60 -99.45 113.25 25.5 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.17 -0.956 . . . . 0.0 110.126 -179.711 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 698' ' ' LEU . . . . . 0.651 HD12 ' N ' ' A' ' 699' ' ' GLN . 0.5 OUTLIER -105.3 -173.66 2.35 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.212 -0.93 . . . . 0.0 110.418 -179.758 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 699' ' ' GLN . . . . . 0.651 ' N ' HD12 ' A' ' 698' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.511 0 O-C-N 121.308 -0.87 . . . . 0.0 110.175 -179.903 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 655' ' ' ALA . . . . . 0.427 ' HA ' ' OG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.17 0.51 . . . . 0.0 110.212 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 656' ' ' TRP . . . . . 0.702 ' CH2' HG22 ' A' ' 658' ' ' VAL . 84.4 t90 -66.1 154.62 39.12 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.228 -0.92 . . . . 0.0 110.167 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -139.25 158.29 44.42 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.232 -0.918 . . . . 0.0 110.165 179.887 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 658' ' ' VAL . . . . . 0.702 HG22 ' CH2' ' A' ' 656' ' ' TRP . 15.0 t -89.62 148.05 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.296 -0.878 . . . . 0.0 110.439 -179.631 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 62.3 52.46 3.1 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.226 -0.922 . . . . 0.0 110.124 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 92.7 m -133.51 160.53 37.17 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.263 -0.898 . . . . 0.0 110.49 -179.802 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -101.64 131.55 47.81 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.246 -0.909 . . . . 0.0 110.132 179.787 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -126.63 151.89 47.41 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.2 -0.937 . . . . 0.0 110.314 -179.787 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 33.9 p -104.08 172.56 6.73 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.292 -0.88 . . . . 0.0 109.916 179.82 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 664' ' ' ALA . . . . . 0.887 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -70.65 127.02 31.26 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.256 -0.902 . . . . 0.0 110.416 -179.808 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 665' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 94.28 27.54 11.88 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 179.736 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 666' ' ' GLN . . . . . 0.536 ' CB ' ' HB2' ' A' ' 677' ' ' CYS . 0.0 OUTLIER -90.7 172.17 8.85 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.244 -1.151 . . . . 0.0 110.483 -179.896 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 667' ' ' LEU . . . . . 0.68 HD21 ' HE3' ' A' ' 676' ' ' LYS . 1.6 mt -132.46 116.41 16.75 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.386 -0.821 . . . . 0.0 109.811 179.622 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 668' ' ' VAL . . . . . 0.46 ' HB ' ' HB2' ' A' ' 656' ' ' TRP . 2.4 m -123.22 164.68 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.037 -1.039 . . . . 0.0 110.384 -179.718 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 669' ' ' THR . . . . . 0.831 ' CG2' HG23 ' A' ' 674' ' ' THR . 0.4 OUTLIER -140.86 122.68 15.37 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.246 -0.908 . . . . 0.0 110.104 179.671 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 670' ' ' TYR . . . . . 0.576 ' CE2' ' HA ' ' A' ' 688' ' ' GLU . 64.8 m-85 -92.12 73.98 5.48 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.147 -0.97 . . . . 0.0 110.036 179.822 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 671' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 670' ' ' TYR . 53.0 m-20 36.87 81.8 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.69 -0.632 . . . . 0.0 110.951 179.716 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . 107.45 -34.53 5.61 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.807 -1.317 . . . . 0.0 109.807 179.744 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 673' ' ' LYS . . . . . 0.487 ' HB2' ' HB2' ' A' ' 670' ' ' TYR . 8.4 mmtm -103.07 160.33 14.73 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.107 -1.231 . . . . 0.0 110.556 -179.761 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 674' ' ' THR . . . . . 0.831 HG23 ' CG2' ' A' ' 669' ' ' THR . 1.5 m -138.24 125.48 21.65 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.402 -0.811 . . . . 0.0 109.855 179.876 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 675' ' ' TYR . . . . . 0.797 ' CZ ' HD13 ' A' ' 698' ' ' LEU . 52.8 m-85 -122.39 -179.08 4.07 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.102 -0.998 . . . . 0.0 110.534 -179.899 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 676' ' ' LYS . . . . . 0.68 ' HE3' HD21 ' A' ' 667' ' ' LEU . 0.5 OUTLIER -140.48 113.1 8.06 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.343 -0.848 . . . . 0.0 110.39 -179.745 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 677' ' ' CYS . . . . . 0.536 ' HB2' ' CB ' ' A' ' 666' ' ' GLN . 0.1 OUTLIER -61.09 133.12 55.71 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.153 -0.967 . . . . 0.0 109.821 179.579 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.563 ' O ' HD23 ' A' ' 678' ' ' LEU . 0.9 OUTLIER -110.29 -18.49 13.26 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.293 -0.879 . . . . 0.0 110.426 -179.676 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 679' ' ' GLN . . . . . 0.425 ' HA ' ' HB2' ' A' ' 664' ' ' ALA . 0.5 OUTLIER -144.36 149.92 46.23 Favored Pre-proline 0 N--CA 1.49 1.551 0 O-C-N 121.241 -0.912 . . . . 0.0 110.422 -179.704 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 680' ' ' PRO . . . . . 0.887 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.3 Cg_exo -58.04 105.72 0.22 Allowed 'Trans proline' 0 C--N 1.312 -1.394 0 O-C-N 123.724 1.381 . . . . 0.0 110.642 179.758 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 681' ' ' HIS . . . . . 0.444 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 9.9 m80 -146.16 167.79 22.57 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.224 -0.923 . . . . 0.0 110.249 -179.884 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 54.9 m -106.18 126.98 52.88 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.254 -0.904 . . . . 0.0 110.39 -179.802 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 35.3 p -78.91 145.35 34.14 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.28 -0.888 . . . . 0.0 109.972 179.716 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 684' ' ' LEU . . . . . 0.667 ' H ' HD23 ' A' ' 684' ' ' LEU . 1.1 pt? -146.03 171.49 14.8 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.256 -0.902 . . . . 0.0 110.756 -179.778 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 685' ' ' ALA . . . . . 0.419 ' N ' HG13 ' A' ' 658' ' ' VAL . . . -63.15 75.51 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.314 -0.866 . . . . 0.0 110.135 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 686' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 173.72 -32.48 0.11 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.252 -1.539 . . . . 0.0 109.252 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 18.1 m0 -89.09 38.19 0.88 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.327 -1.102 . . . . 0.0 109.903 179.86 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 688' ' ' GLU . . . . . 0.607 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.7 mt-10 -87.98 -47.34 0.46 Allowed Pre-proline 0 N--CA 1.496 1.847 0 O-C-N 121.429 -0.794 . . . . 0.0 110.694 -179.878 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 689' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.8 Cg_endo -69.63 -3.51 12.08 Favored 'Trans proline' 0 C--N 1.316 -1.175 0 O-C-N 123.235 1.124 . . . . 0.0 110.467 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 690' ' ' SER . . . . . 0.583 ' HB3' ' CE2' ' A' ' 675' ' ' TYR . 1.5 p 64.3 56.28 1.34 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.303 -0.873 . . . . 0.0 109.703 -179.612 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -81.92 13.67 3.17 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.286 -0.884 . . . . 0.0 110.855 -179.372 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 692' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 692' ' ' VAL . 17.2 m -140.15 83.11 16.12 Favored Pre-proline 0 N--CA 1.494 1.727 0 O-C-N 120.97 -1.081 . . . . 0.0 110.529 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.11 -12.6 23.73 Favored 'Trans proline' 0 C--N 1.31 -1.473 0 O-C-N 123.654 1.344 . . . . 0.0 110.379 179.9 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -58.55 -39.39 80.08 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.318 -0.864 . . . . 0.0 110.457 -179.885 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 695' ' ' LEU . . . . . 1.057 HD13 ' N ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -123.46 -11.5 7.85 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.238 -0.914 . . . . 0.0 110.211 -179.793 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 696' ' ' TRP . . . . . 1.057 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.4 OUTLIER -103.9 108.16 19.36 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.224 -0.923 . . . . 0.0 110.153 179.512 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 697' ' ' GLN . . . . . 0.477 ' O ' ' HB2' ' A' ' 676' ' ' LYS . 45.1 tt0 -99.94 93.92 6.02 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.156 -0.965 . . . . 0.0 109.82 179.828 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 698' ' ' LEU . . . . . 0.797 HD13 ' CZ ' ' A' ' 675' ' ' TYR . 19.9 tp -70.49 154.21 42.12 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.185 -0.947 . . . . 0.0 110.426 -179.553 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 699' ' ' GLN . . . . . 0.422 ' N ' ' HG ' ' A' ' 698' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.351 -0.843 . . . . 0.0 110.283 -179.91 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 655' ' ' ALA . . . . . 0.471 ' HA ' ' OG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.193 0.52 . . . . 0.0 110.17 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 656' ' ' TRP . . . . . 0.639 ' CD1' ' CZ ' ' A' ' 670' ' ' TYR . 55.3 t90 -57.61 131.8 51.32 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.269 -0.895 . . . . 0.0 109.939 179.871 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -107.5 142.77 36.85 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.26 -0.9 . . . . 0.0 110.456 -179.671 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 658' ' ' VAL . . . . . 0.402 ' O ' ' HB2' ' A' ' 659' ' ' ASN . 8.5 p -79.19 154.02 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.248 -0.908 . . . . 0.0 110.246 179.937 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 659' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' A' ' 658' ' ' VAL . 3.2 m120 55.78 55.39 7.13 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.238 -0.914 . . . . 0.0 109.779 -179.75 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 21.9 m -139.92 154.55 47.27 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.311 -0.868 . . . . 0.0 110.332 -179.475 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -97.85 122.81 41.41 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.32 -0.862 . . . . 0.0 110.164 179.861 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -112.68 167.78 10.2 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.328 -0.857 . . . . 0.0 110.22 179.865 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.92 -172.7 2.13 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.359 -0.838 . . . . 0.0 110.114 179.828 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 664' ' ' ALA . . . . . 0.718 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -81.4 151.07 28.09 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.208 -0.933 . . . . 0.0 110.572 -179.526 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 665' ' ' GLY . . . . . 0.421 ' CA ' ' O ' ' A' ' 677' ' ' CYS . . . 55.3 34.92 59.65 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 179.878 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 666' ' ' GLN . . . . . 0.513 ' O ' ' HA ' ' A' ' 676' ' ' LYS . 0.0 OUTLIER -85.4 175.19 9.01 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.294 -1.121 . . . . 0.0 110.308 179.923 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 667' ' ' LEU . . . . . 0.763 HD13 ' C ' ' A' ' 667' ' ' LEU . 3.0 tm? -130.52 117.56 19.79 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.266 -0.896 . . . . 0.0 110.34 -179.828 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 668' ' ' VAL . . . . . 0.436 ' CG2' ' HB2' ' A' ' 675' ' ' TYR . 3.2 m -129.98 177.47 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.223 -0.923 . . . . 0.0 110.214 179.947 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 669' ' ' THR . . . . . 0.507 ' HA ' ' O ' ' A' ' 673' ' ' LYS . 0.9 OUTLIER -140.85 120.47 13.31 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.166 -0.959 . . . . 0.0 109.985 179.769 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 670' ' ' TYR . . . . . 0.639 ' CZ ' ' CD1' ' A' ' 656' ' ' TRP . 65.3 m-85 -95.59 92.16 6.49 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.0 -1.062 . . . . 0.0 110.884 -179.599 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 671' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 670' ' ' TYR . 41.9 t30 40.69 86.75 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.305 -0.872 . . . . 0.0 111.26 179.324 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . 71.4 2.05 46.9 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 110.342 -1.103 . . . . 0.0 110.342 179.125 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 673' ' ' LYS . . . . . 0.507 ' O ' ' HA ' ' A' ' 669' ' ' THR . 16.2 mmtp -112.49 157.26 21.33 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.989 -1.3 . . . . 0.0 110.237 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 674' ' ' THR . . . . . 0.557 ' O ' HD12 ' A' ' 698' ' ' LEU . 12.0 m -123.95 123.83 41.26 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.328 -0.858 . . . . 0.0 109.682 179.659 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 675' ' ' TYR . . . . . 0.775 ' CZ ' HD13 ' A' ' 698' ' ' LEU . 19.7 m-85 -125.08 170.98 10.65 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.213 -0.93 . . . . 0.0 110.599 -179.475 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 676' ' ' LYS . . . . . 0.513 ' HA ' ' O ' ' A' ' 666' ' ' GLN . 0.3 OUTLIER -140.37 103.4 4.56 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.372 -0.83 . . . . 0.0 110.014 -179.802 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 677' ' ' CYS . . . . . 0.507 ' HB3' ' HB2' ' A' ' 666' ' ' GLN . 0.1 OUTLIER -52.08 148.08 6.63 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.224 -0.922 . . . . 0.0 110.258 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.578 HD23 ' OE1' ' A' ' 679' ' ' GLN . 0.8 OUTLIER -119.65 -8.19 9.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.24 -0.913 . . . . 0.0 110.097 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 679' ' ' GLN . . . . . 0.578 ' OE1' HD23 ' A' ' 678' ' ' LEU . 0.1 OUTLIER -160.0 154.53 20.47 Favored Pre-proline 0 N--CA 1.49 1.552 0 O-C-N 121.187 -0.945 . . . . 0.0 110.464 179.93 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 680' ' ' PRO . . . . . 0.718 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.2 Cg_exo -60.63 116.21 3.19 Favored 'Trans proline' 0 C--N 1.312 -1.38 0 O-C-N 123.825 1.434 . . . . 0.0 110.981 -179.932 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 681' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 680' ' ' PRO . 51.0 m-70 -156.93 177.05 11.95 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.215 -0.928 . . . . 0.0 110.398 179.711 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 682' ' ' THR . . . . . 0.428 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 22.7 m -116.26 121.49 42.16 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.232 -0.918 . . . . 0.0 110.593 -179.591 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 1.4 m -79.38 143.34 35.18 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.222 -0.924 . . . . 0.0 110.036 179.769 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 684' ' ' LEU . . . . . 0.58 ' O ' HD23 ' A' ' 684' ' ' LEU . 0.5 OUTLIER -149.24 -177.47 5.85 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.263 -0.898 . . . . 0.0 110.507 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -60.25 85.63 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.331 -0.856 . . . . 0.0 110.167 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 686' ' ' GLY . . . . . 0.451 ' O ' ' HD2' ' A' ' 689' ' ' PRO . . . 158.81 -36.51 0.5 Allowed Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.764 -1.334 . . . . 0.0 109.764 179.899 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 687' ' ' TRP . . . . . 0.428 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 34.3 m0 -85.75 31.88 0.6 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.147 -1.208 . . . . 0.0 110.671 -179.696 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 688' ' ' GLU . . . . . 0.598 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 0.6 OUTLIER -87.55 -48.01 0.47 Allowed Pre-proline 0 N--CA 1.494 1.748 0 O-C-N 121.052 -1.03 . . . . 0.0 110.477 179.976 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 689' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.9 Cg_endo -69.97 -5.6 16.73 Favored 'Trans proline' 0 C--N 1.314 -1.288 0 O-C-N 123.264 1.139 . . . . 0.0 110.239 179.756 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 690' ' ' SER . . . . . 0.5 ' O ' ' OG ' ' A' ' 690' ' ' SER . 1.5 p 68.22 61.04 0.4 Allowed 'General case' 0 N--CA 1.495 1.786 0 CA-C-O 121.671 0.748 . . . . 0.0 110.219 -179.775 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -81.79 0.35 39.62 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.045 -1.034 . . . . 0.0 110.714 -179.861 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 692' ' ' VAL . . . . . 0.487 ' O ' ' HB2' ' A' ' 696' ' ' TRP . 6.6 m -128.97 83.07 67.35 Favored Pre-proline 0 N--CA 1.493 1.7 0 O-C-N 121.04 -1.037 . . . . 0.0 110.426 -179.66 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -59.48 -26.26 81.39 Favored 'Trans proline' 0 C--N 1.31 -1.468 0 O-C-N 123.736 1.387 . . . . 0.0 110.681 -179.869 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -50.81 -40.04 54.56 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.306 -0.871 . . . . 0.0 110.444 -179.838 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 695' ' ' LEU . . . . . 1.051 HD13 ' N ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -120.57 -11.79 9.02 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.098 -1.001 . . . . 0.0 110.886 -179.691 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 696' ' ' TRP . . . . . 1.051 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.3 OUTLIER -110.11 109.0 19.37 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.973 -1.079 . . . . 0.0 110.058 179.407 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 697' ' ' GLN . . . . . 0.423 ' HG3' ' N ' ' A' ' 698' ' ' LEU . 6.8 tp60 -100.02 156.81 16.96 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.263 -0.898 . . . . 0.0 109.752 179.809 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 698' ' ' LEU . . . . . 0.775 HD13 ' CZ ' ' A' ' 675' ' ' TYR . 19.1 tp -128.33 153.62 46.83 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.081 -1.012 . . . . 0.0 110.325 -179.756 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 699' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' ' 698' ' ' LEU . 19.2 mt-30 . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.478 -0.764 . . . . 0.0 110.275 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 655' ' ' ALA . . . . . 0.425 ' HB1' ' O ' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.223 0.535 . . . . 0.0 110.241 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 656' ' ' TRP . . . . . 0.67 ' CH2' HG12 ' A' ' 658' ' ' VAL . 91.6 t90 -74.72 141.9 44.45 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.318 -0.864 . . . . 0.0 110.221 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -139.61 140.2 36.93 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.181 -0.949 . . . . 0.0 110.242 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 658' ' ' VAL . . . . . 0.67 HG12 ' CH2' ' A' ' 656' ' ' TRP . 24.7 m -70.79 164.55 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.296 -0.878 . . . . 0.0 110.056 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 659' ' ' ASN . . . . . 0.407 ' O ' ' CG ' ' A' ' 659' ' ' ASN . 21.1 t30 48.99 45.12 22.87 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.291 -0.881 . . . . 0.0 109.707 -179.741 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 23.0 m -138.91 122.51 17.4 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.37 -0.831 . . . . 0.0 110.321 -179.796 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 661' ' ' ALA . . . . . 0.479 ' HA ' ' HA ' ' A' ' 682' ' ' THR . . . -75.31 137.01 40.86 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.273 -0.892 . . . . 0.0 110.203 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 662' ' ' TYR . . . . . 0.518 ' O ' ' HA ' ' A' ' 680' ' ' PRO . 16.3 m-85 -121.96 162.93 20.2 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.245 -0.909 . . . . 0.0 110.199 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 663' ' ' THR . . . . . 0.425 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 12.1 p -107.04 -171.21 1.84 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.164 -0.96 . . . . 0.0 110.264 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 664' ' ' ALA . . . . . 0.821 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -83.22 157.14 22.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.192 -0.943 . . . . 0.0 110.192 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 665' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 55.4 22.39 30.63 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 179.917 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 666' ' ' GLN . . . . . 0.469 ' HB3' ' CB ' ' A' ' 677' ' ' CYS . 9.8 tp-100 -79.39 171.12 15.6 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.182 -1.187 . . . . 0.0 110.085 179.895 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.17 126.41 40.99 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.219 -0.926 . . . . 0.0 110.392 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 668' ' ' VAL . . . . . . . . . . . . . 2.2 m -139.29 163.3 26.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.27 -0.893 . . . . 0.0 109.913 179.902 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 669' ' ' THR . . . . . 0.534 ' HA ' ' O ' ' A' ' 673' ' ' LYS . 3.1 p -140.53 119.97 13.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.119 -0.988 . . . . 0.0 110.072 179.525 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 670' ' ' TYR . . . . . 0.507 ' O ' ' N ' ' A' ' 672' ' ' GLY . 64.0 m-85 -79.76 89.88 5.22 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.171 -0.955 . . . . 0.0 110.157 -179.911 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 671' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' A' ' 670' ' ' TYR . 9.5 m120 64.08 -69.83 0.08 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.373 -0.829 . . . . 0.0 110.046 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 672' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 670' ' ' TYR . . . -137.12 13.24 3.83 Favored Glycine 0 N--CA 1.488 2.15 0 N-CA-C 109.039 -1.624 . . . . 0.0 109.039 179.677 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 673' ' ' LYS . . . . . 0.534 ' O ' ' HA ' ' A' ' 669' ' ' THR . 3.7 mmtp -101.84 146.92 27.14 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.407 -1.055 . . . . 0.0 110.28 -179.804 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 674' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.68 132.15 45.2 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.374 -0.829 . . . . 0.0 109.447 179.353 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 675' ' ' TYR . . . . . 0.479 ' HA ' ' HA ' ' A' ' 698' ' ' LEU . 16.9 m-85 -145.29 157.42 44.06 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.957 -1.089 . . . . 0.0 111.064 -179.511 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 676' ' ' LYS . . . . . 0.421 ' HD3' ' CD ' ' A' ' 699' ' ' GLN . 0.0 OUTLIER -140.33 118.9 12.29 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.531 -0.731 . . . . 0.0 109.777 179.885 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 677' ' ' CYS . . . . . 0.479 ' O ' ' N ' ' A' ' 665' ' ' GLY . 0.6 OUTLIER -70.7 144.04 51.13 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.182 -0.949 . . . . 0.0 110.543 -179.616 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.539 ' O ' ' HB1' ' A' ' 664' ' ' ALA . 4.3 mp -108.66 -31.06 7.9 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.167 -0.958 . . . . 0.0 110.06 179.758 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 679' ' ' GLN . . . . . 0.44 ' HB3' ' NE2' ' A' ' 681' ' ' HIS . 0.0 OUTLIER -129.65 142.44 45.3 Favored Pre-proline 0 N--CA 1.492 1.659 0 O-C-N 121.259 -0.9 . . . . 0.0 110.191 -179.997 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 680' ' ' PRO . . . . . 0.821 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.1 Cg_exo -60.88 107.39 0.44 Allowed 'Trans proline' 0 C--N 1.313 -1.294 0 O-C-N 123.46 1.242 . . . . 0.0 110.968 -179.905 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 681' ' ' HIS . . . . . 0.524 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 9.1 m-70 -139.1 -158.27 0.84 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.229 -0.919 . . . . 0.0 110.04 179.664 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 682' ' ' THR . . . . . 0.479 ' HA ' ' HA ' ' A' ' 661' ' ' ALA . 6.3 m -124.86 133.99 52.88 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.093 -1.005 . . . . 0.0 110.901 -179.478 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 683' ' ' SER . . . . . 0.518 ' HG ' ' HE1' ' A' ' 656' ' ' TRP . 0.5 OUTLIER -90.48 140.36 29.81 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.318 -0.864 . . . . 0.0 109.649 179.368 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 684' ' ' LEU . . . . . 0.683 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.8 OUTLIER -155.93 179.31 9.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.258 -0.901 . . . . 0.0 110.67 -179.837 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -65.33 71.59 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.399 -0.813 . . . . 0.0 109.998 179.889 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 686' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . -178.2 -33.49 0.05 OUTLIER Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.199 -1.56 . . . . 0.0 109.199 -179.868 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 687' ' ' TRP . . . . . 0.429 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 38.0 m0 -88.53 37.29 0.82 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.286 -1.126 . . . . 0.0 109.97 179.767 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 688' ' ' GLU . . . . . 0.587 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 2.1 mt-10 -90.27 -47.92 0.38 Allowed Pre-proline 0 N--CA 1.495 1.798 0 O-C-N 121.37 -0.831 . . . . 0.0 110.951 -179.49 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 689' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.6 Cg_endo -70.01 -3.51 12.33 Favored 'Trans proline' 0 C--N 1.315 -1.198 0 O-C-N 123.199 1.105 . . . . 0.0 110.201 -179.908 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 690' ' ' SER . . . . . . . . . . . . . 5.0 p 56.25 46.43 21.26 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.28 -0.888 . . . . 0.0 109.654 -179.223 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 691' ' ' ASN . . . . . 0.58 ' OD1' HG13 ' A' ' 692' ' ' VAL . 8.9 p30 -79.72 10.86 3.6 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.246 -0.909 . . . . 0.0 110.728 -179.754 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 692' ' ' VAL . . . . . 0.58 HG13 ' OD1' ' A' ' 691' ' ' ASN . 11.9 m -130.66 80.25 70.35 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.125 -0.984 . . . . 0.0 110.086 179.741 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -60.85 -19.72 63.25 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.773 1.407 . . . . 0.0 110.648 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -54.93 -28.89 54.51 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.217 -0.927 . . . . 0.0 110.275 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 695' ' ' LEU . . . . . 1.046 ' O ' HD22 ' A' ' 695' ' ' LEU . 0.0 OUTLIER -136.12 -4.5 2.16 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.172 -0.955 . . . . 0.0 111.007 -179.69 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 696' ' ' TRP . . . . . 0.959 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.7 OUTLIER -120.4 120.97 37.5 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.928 -1.108 . . . . 0.0 110.854 -179.976 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 697' ' ' GLN . . . . . 0.526 ' HG2' ' N ' ' A' ' 698' ' ' LEU . 29.0 tt0 -116.43 157.83 24.5 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.396 -0.815 . . . . 0.0 109.179 179.196 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 698' ' ' LEU . . . . . 0.686 HD12 ' N ' ' A' ' 699' ' ' GLN . 1.0 OUTLIER -140.57 164.84 29.08 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.909 -1.119 . . . . 0.0 110.61 -179.973 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 699' ' ' GLN . . . . . 0.686 ' N ' HD12 ' A' ' 698' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.704 0 O-C-N 121.496 -0.752 . . . . 0.0 110.054 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 655' ' ' ALA . . . . . 0.948 ' N ' ' HG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 121.065 0.46 . . . . 0.0 110.136 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 656' ' ' TRP . . . . . 0.623 ' CD2' ' CE2' ' A' ' 670' ' ' TYR . 89.5 t90 -66.7 143.34 57.02 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.048 -1.033 . . . . 0.0 109.859 179.537 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -137.13 153.27 50.54 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.132 -0.98 . . . . 0.0 110.443 -179.836 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 658' ' ' VAL . . . . . 0.447 HG22 ' CH2' ' A' ' 656' ' ' TRP . 18.4 t -78.17 154.94 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.297 -0.877 . . . . 0.0 110.029 179.771 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 57.93 53.36 6.95 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.22 -0.925 . . . . 0.0 110.124 -179.785 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 16.5 m -140.19 131.48 26.66 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.306 -0.871 . . . . 0.0 110.296 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -77.58 124.52 28.03 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.274 -0.891 . . . . 0.0 110.239 179.941 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -114.97 163.16 15.98 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.288 -0.882 . . . . 0.0 110.228 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 663' ' ' THR . . . . . 0.429 ' O ' ' HB3' ' A' ' 677' ' ' CYS . 0.0 OUTLIER -109.69 -172.47 2.05 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.24 -0.912 . . . . 0.0 110.027 179.905 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 664' ' ' ALA . . . . . 0.908 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -83.49 160.24 21.55 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.157 -0.964 . . . . 0.0 110.444 -179.667 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 665' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 50.67 28.55 16.05 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.69 -1.364 . . . . 0.0 109.69 179.888 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 666' ' ' GLN . . . . . 0.427 ' O ' ' HA ' ' A' ' 676' ' ' LYS . 0.5 OUTLIER -84.01 176.03 9.12 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.222 -1.163 . . . . 0.0 110.038 179.893 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 667' ' ' LEU . . . . . 0.465 HD13 ' O ' ' A' ' 675' ' ' TYR . 0.2 OUTLIER -136.74 111.14 8.51 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.195 -0.94 . . . . 0.0 110.74 -179.746 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 668' ' ' VAL . . . . . . . . . . . . . 2.4 m -120.33 173.71 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.315 -0.866 . . . . 0.0 109.343 179.537 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 669' ' ' THR . . . . . 0.948 ' HG1' ' N ' ' A' ' 655' ' ' ALA . 2.8 p -140.31 121.09 14.41 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.811 -1.181 . . . . 0.0 110.183 179.663 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 670' ' ' TYR . . . . . 0.623 ' CE2' ' CD2' ' A' ' 656' ' ' TRP . 60.1 m-85 -91.45 -161.02 0.78 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.336 -0.852 . . . . 0.0 109.94 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 671' ' ' ASN . . . . . 0.416 ' CG ' ' O ' ' A' ' 671' ' ' ASN . 17.7 p-10 -47.46 92.56 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.168 -0.957 . . . . 0.0 109.906 179.74 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 672' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 670' ' ' TYR . . . 52.88 28.99 33.28 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.181 -1.568 . . . . 0.0 109.181 -179.53 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 673' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.57 152.05 34.93 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.309 -1.113 . . . . 0.0 110.464 -179.741 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 674' ' ' THR . . . . . 0.468 ' O ' ' HB2' ' A' ' 698' ' ' LEU . 26.2 m -111.99 114.0 26.63 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.338 -0.852 . . . . 0.0 109.192 179.39 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 675' ' ' TYR . . . . . 0.926 ' CZ ' HD22 ' A' ' 698' ' ' LEU . 8.1 m-85 -119.65 159.72 23.89 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.151 -0.968 . . . . 0.0 111.576 -178.822 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 676' ' ' LYS . . . . . 0.46 ' HB3' ' O ' ' A' ' 697' ' ' GLN . 1.5 tmtt? -139.69 113.93 9.0 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.468 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 677' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 665' ' ' GLY . 0.0 OUTLIER -64.45 144.63 57.04 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.216 -0.928 . . . . 0.0 110.604 -179.447 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.671 ' O ' HD23 ' A' ' 678' ' ' LEU . 2.9 tt -112.29 -17.03 12.84 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.357 -0.839 . . . . 0.0 109.932 179.889 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 679' ' ' GLN . . . . . 0.538 ' HB3' ' NE2' ' A' ' 681' ' ' HIS . 0.7 OUTLIER -145.6 149.17 39.37 Favored Pre-proline 0 N--CA 1.489 1.501 0 O-C-N 121.24 -0.912 . . . . 0.0 110.33 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 680' ' ' PRO . . . . . 0.908 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.2 Cg_exo -60.82 114.08 2.0 Allowed 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.752 1.396 . . . . 0.0 111.162 -179.889 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 681' ' ' HIS . . . . . 0.543 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 40.8 m-70 -149.02 -160.64 1.2 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.303 -0.873 . . . . 0.0 110.15 179.343 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 682' ' ' THR . . . . . 0.462 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 17.4 m -138.01 123.74 19.88 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.188 -0.945 . . . . 0.0 110.39 -179.775 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 683' ' ' SER . . . . . 0.476 ' HB2' ' CZ2' ' A' ' 656' ' ' TRP . 83.7 p -71.05 141.83 50.89 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.269 -0.895 . . . . 0.0 110.034 179.847 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 684' ' ' LEU . . . . . 0.604 ' H ' HD23 ' A' ' 684' ' ' LEU . 1.0 OUTLIER -141.12 175.63 9.48 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.317 -0.864 . . . . 0.0 110.188 179.897 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -66.86 79.92 0.11 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.191 -0.943 . . . . 0.0 110.053 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 686' ' ' GLY . . . . . 0.44 ' O ' ' HD2' ' A' ' 689' ' ' PRO . . . 162.92 -23.05 0.19 Allowed Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 -179.904 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 687' ' ' TRP . . . . . 0.543 ' CG ' ' CD2' ' A' ' 684' ' ' LEU . 16.8 m0 -86.67 32.83 0.65 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.146 -1.208 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 688' ' ' GLU . . . . . 0.597 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 2.2 mt-10 -88.55 -47.17 0.44 Allowed Pre-proline 0 N--CA 1.495 1.821 0 O-C-N 121.196 -0.94 . . . . 0.0 110.659 -179.795 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 689' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.7 Cg_endo -70.56 -2.96 11.59 Favored 'Trans proline' 0 C--N 1.315 -1.206 0 O-C-N 123.2 1.105 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 690' ' ' SER . . . . . 0.492 ' O ' ' OG ' ' A' ' 690' ' ' SER . 1.7 p 64.82 59.11 0.92 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.43 -0.794 . . . . 0.0 110.031 -179.622 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -79.5 5.89 11.75 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.164 -0.96 . . . . 0.0 110.419 -179.807 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 692' ' ' VAL . . . . . 0.509 HG23 ' CD1' ' A' ' 695' ' ' LEU . 17.6 m -135.91 76.76 51.97 Favored Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.149 -0.969 . . . . 0.0 110.161 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -60.47 -16.9 44.87 Favored 'Trans proline' 0 C--N 1.312 -1.382 0 O-C-N 123.631 1.332 . . . . 0.0 110.41 -179.91 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -59.36 -41.65 89.77 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.197 -0.939 . . . . 0.0 110.084 179.918 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 695' ' ' LEU . . . . . 1.092 HD13 ' N ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -114.09 -15.31 12.28 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.268 -0.895 . . . . 0.0 110.268 -179.895 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 696' ' ' TRP . . . . . 1.092 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.1 OUTLIER -104.99 92.07 4.07 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.181 -0.95 . . . . 0.0 110.018 179.723 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 697' ' ' GLN . . . . . 0.46 ' O ' ' HB3' ' A' ' 676' ' ' LYS . 1.1 tt0 -106.7 102.35 11.73 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.137 -0.977 . . . . 0.0 109.904 179.876 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 698' ' ' LEU . . . . . 0.926 HD22 ' CZ ' ' A' ' 675' ' ' TYR . 0.7 OUTLIER -97.22 -163.82 1.08 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.233 -0.917 . . . . 0.0 110.522 -179.618 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 699' ' ' GLN . . . . . 0.62 ' N ' HD12 ' A' ' 698' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.373 -0.83 . . . . 0.0 110.05 -179.915 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 655' ' ' ALA . . . . . 0.498 ' HB1' ' O ' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 121.272 0.558 . . . . 0.0 110.181 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 656' ' ' TRP . . . . . 0.586 ' CZ2' ' HB3' ' A' ' 683' ' ' SER . 91.1 t90 -71.25 137.97 49.03 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.124 -0.985 . . . . 0.0 110.253 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 27.8 mm100 -130.73 149.11 52.53 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.283 -0.886 . . . . 0.0 110.146 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 658' ' ' VAL . . . . . 0.428 ' O ' ' HB2' ' A' ' 659' ' ' ASN . 4.0 p -72.79 153.35 7.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.219 -0.926 . . . . 0.0 110.158 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 659' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' A' ' 658' ' ' VAL . 1.9 m120 59.19 47.97 10.99 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.28 -0.887 . . . . 0.0 109.949 -179.809 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 96.1 m -132.15 147.1 52.41 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.238 -0.914 . . . . 0.0 110.312 -179.856 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -96.52 127.18 42.27 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.324 -0.86 . . . . 0.0 110.215 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 662' ' ' TYR . . . . . 0.509 ' HD2' ' HG ' ' A' ' 683' ' ' SER . 15.4 m-85 -118.94 150.82 39.26 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.165 -0.96 . . . . 0.0 110.237 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 66.2 p -99.72 178.52 4.81 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.294 -0.879 . . . . 0.0 110.092 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 664' ' ' ALA . . . . . 0.97 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -75.85 143.11 41.98 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.212 -0.93 . . . . 0.0 110.109 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 665' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 76.49 20.0 77.37 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 179.939 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -84.51 174.07 10.32 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.267 -1.137 . . . . 0.0 110.106 179.914 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -138.43 99.19 3.77 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.032 -1.043 . . . . 0.0 110.704 -179.694 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 668' ' ' VAL . . . . . 0.445 ' HB ' ' HB2' ' A' ' 656' ' ' TRP . 2.7 m -102.97 170.05 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.201 -0.937 . . . . 0.0 109.674 179.253 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 669' ' ' THR . . . . . 0.498 ' O ' ' HB1' ' A' ' 655' ' ' ALA . 9.5 p -140.33 113.71 8.56 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.069 -1.019 . . . . 0.0 110.246 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 670' ' ' TYR . . . . . 0.559 ' CE2' ' HA ' ' A' ' 688' ' ' GLU . 69.8 m-85 -79.9 73.92 6.66 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.139 -0.975 . . . . 0.0 110.039 179.831 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 671' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 670' ' ' TYR . 0.1 OUTLIER 39.17 90.81 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.55 -0.719 . . . . 0.0 110.826 179.948 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . 85.24 -16.02 41.29 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.937 -1.265 . . . . 0.0 109.937 179.422 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 673' ' ' LYS . . . . . 0.517 ' CB ' ' HB2' ' A' ' 670' ' ' TYR . 0.9 OUTLIER -102.04 136.46 41.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.111 -1.229 . . . . 0.0 110.494 -179.773 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 674' ' ' THR . . . . . . . . . . . . . 11.8 m -99.76 116.06 30.96 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.428 -0.795 . . . . 0.0 109.671 179.454 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 675' ' ' TYR . . . . . 0.583 ' CE2' ' HB3' ' A' ' 698' ' ' LEU . 25.3 m-85 -130.33 159.21 37.65 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.075 -1.015 . . . . 0.0 110.833 -179.532 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 676' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 697' ' ' GLN . 8.9 ptmt -140.37 138.82 35.12 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.38 -0.825 . . . . 0.0 109.978 179.929 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 677' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 665' ' ' GLY . 1.8 t -89.5 137.87 31.95 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.318 -0.864 . . . . 0.0 110.213 -179.843 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.428 ' C ' ' HG3' ' A' ' 679' ' ' GLN . 0.1 OUTLIER -107.37 -13.3 15.14 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.263 -0.898 . . . . 0.0 110.155 179.899 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 679' ' ' GLN . . . . . 0.471 ' HB3' ' NE2' ' A' ' 681' ' ' HIS . 37.3 mt-30 -142.21 141.26 20.85 Favored Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.289 -0.882 . . . . 0.0 109.872 179.794 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 680' ' ' PRO . . . . . 0.97 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.1 Cg_exo -59.8 108.93 0.52 Allowed 'Trans proline' 0 C--N 1.313 -1.337 0 O-C-N 123.547 1.288 . . . . 0.0 110.698 179.898 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 681' ' ' HIS . . . . . 0.503 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 56.2 m-70 -146.93 -172.71 4.05 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.421 -0.8 . . . . 0.0 109.95 179.766 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 682' ' ' THR . . . . . 0.482 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 82.0 m -117.46 129.01 55.56 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.11 -0.994 . . . . 0.0 110.688 -179.762 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 683' ' ' SER . . . . . 0.586 ' HB3' ' CZ2' ' A' ' 656' ' ' TRP . 43.3 m -87.15 142.1 28.16 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.357 -0.84 . . . . 0.0 109.791 179.645 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 684' ' ' LEU . . . . . 0.638 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.7 OUTLIER -149.02 -178.7 6.52 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.204 -0.935 . . . . 0.0 110.696 -179.798 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -63.98 70.48 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.376 -0.828 . . . . 0.0 110.062 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 686' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . -177.31 -37.3 0.06 OUTLIER Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.1 -1.6 . . . . 0.0 109.1 -179.915 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 687' ' ' TRP . . . . . 0.482 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 41.5 m0 -87.24 32.98 0.68 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.292 -1.122 . . . . 0.0 110.129 179.798 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 688' ' ' GLU . . . . . 0.606 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 2.9 mt-10 -87.62 -47.19 0.48 Allowed Pre-proline 0 N--CA 1.494 1.759 0 O-C-N 121.259 -0.901 . . . . 0.0 110.613 -179.886 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 689' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.5 Cg_endo -69.94 -4.27 13.81 Favored 'Trans proline' 0 C--N 1.315 -1.219 0 O-C-N 123.229 1.12 . . . . 0.0 109.961 179.616 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 690' ' ' SER . . . . . 0.402 ' CB ' ' CE2' ' A' ' 675' ' ' TYR . 3.5 p 60.26 47.85 8.72 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.385 -0.822 . . . . 0.0 110.005 -179.477 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 691' ' ' ASN . . . . . 0.689 ' OD1' HG13 ' A' ' 692' ' ' VAL . 7.3 p30 -79.31 1.54 24.66 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.215 -0.928 . . . . 0.0 109.951 179.924 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 692' ' ' VAL . . . . . 0.689 HG13 ' OD1' ' A' ' 691' ' ' ASN . 20.3 m -123.3 71.43 45.71 Favored Pre-proline 0 N--CA 1.49 1.546 0 O-C-N 121.362 -0.836 . . . . 0.0 109.752 179.741 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 693' ' ' PRO . . . . . 0.41 ' HD3' ' C ' ' A' ' 691' ' ' ASN . 3.3 Cg_exo -57.72 -13.83 15.58 Favored 'Trans proline' 0 C--N 1.311 -1.396 0 O-C-N 123.75 1.395 . . . . 0.0 110.857 -179.622 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -54.34 -34.13 60.43 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.158 -0.964 . . . . 0.0 109.962 179.792 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 695' ' ' LEU . . . . . 1.053 ' O ' HD22 ' A' ' 695' ' ' LEU . 0.0 OUTLIER -129.64 -7.48 4.6 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.197 -0.94 . . . . 0.0 110.532 -179.933 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 696' ' ' TRP . . . . . 1.0 ' N ' HD13 ' A' ' 695' ' ' LEU . 1.7 m95 -111.28 95.4 5.5 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.105 -0.997 . . . . 0.0 110.362 179.718 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 697' ' ' GLN . . . . . 0.465 ' O ' ' HG2' ' A' ' 676' ' ' LYS . 0.1 OUTLIER -101.98 111.47 23.76 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.24 -0.912 . . . . 0.0 109.882 179.731 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 698' ' ' LEU . . . . . 0.681 HD12 ' N ' ' A' ' 699' ' ' GLN . 0.9 OUTLIER -88.07 -175.77 5.19 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.023 -1.048 . . . . 0.0 110.69 -179.515 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 699' ' ' GLN . . . . . 0.681 ' N ' HD12 ' A' ' 698' ' ' LEU . 8.6 pt20 . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.45 -0.781 . . . . 0.0 110.271 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 655' ' ' ALA . . . . . 0.478 ' HA ' ' OG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.223 0.535 . . . . 0.0 110.364 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 656' ' ' TRP . . . . . 0.942 ' CH2' HG22 ' A' ' 658' ' ' VAL . 61.1 t90 -69.25 143.39 53.93 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.193 -0.942 . . . . 0.0 110.351 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -134.14 145.87 49.69 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.261 -0.899 . . . . 0.0 110.025 179.916 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 658' ' ' VAL . . . . . 0.942 HG22 ' CH2' ' A' ' 656' ' ' TRP . 10.9 t -77.51 145.91 9.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.178 -0.951 . . . . 0.0 110.364 -179.916 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 659' ' ' ASN . . . . . 0.419 ' CB ' ' O ' ' A' ' 658' ' ' VAL . 0.7 OUTLIER 64.18 59.03 1.09 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.163 -0.96 . . . . 0.0 110.189 -179.979 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 5.3 m -139.17 164.86 28.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.191 -0.943 . . . . 0.0 110.45 -179.902 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -108.2 120.51 42.56 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.325 -0.859 . . . . 0.0 110.144 -179.953 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 662' ' ' TYR . . . . . 0.426 ' O ' ' HA ' ' A' ' 680' ' ' PRO . 26.1 m-85 -117.86 147.51 43.01 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.206 -0.934 . . . . 0.0 110.091 179.919 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 663' ' ' THR . . . . . 0.459 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 59.3 p -99.68 171.43 7.91 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.231 -0.918 . . . . 0.0 109.942 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 664' ' ' ALA . . . . . 0.902 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -65.95 138.32 57.75 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.171 -0.956 . . . . 0.0 109.944 179.893 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 665' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 81.16 27.4 49.31 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.275 -1.53 . . . . 0.0 109.275 -179.618 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 666' ' ' GLN . . . . . 0.498 ' HB3' ' HB2' ' A' ' 677' ' ' CYS . 5.3 tp-100 -87.17 173.02 9.48 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.29 -1.123 . . . . 0.0 110.082 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.39 102.12 4.7 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.22 -0.925 . . . . 0.0 110.794 -179.872 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 668' ' ' VAL . . . . . 0.478 HG11 ' HH2' ' A' ' 696' ' ' TRP . 2.5 m -110.31 166.77 5.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.19 -0.944 . . . . 0.0 109.558 179.444 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 669' ' ' THR . . . . . 0.5 ' HA ' ' O ' ' A' ' 673' ' ' LYS . 0.9 OUTLIER -140.82 116.01 9.92 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.959 -1.088 . . . . 0.0 110.435 179.73 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 670' ' ' TYR . . . . . 0.612 ' CE2' ' CD2' ' A' ' 656' ' ' TRP . 71.8 m-85 -85.05 -162.83 0.74 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.293 -0.879 . . . . 0.0 109.976 179.782 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -46.73 94.74 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.208 -0.932 . . . . 0.0 109.823 179.709 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 672' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 670' ' ' TYR . . . 51.67 33.23 33.87 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.062 -1.615 . . . . 0.0 109.062 -179.578 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 673' ' ' LYS . . . . . 0.5 ' O ' ' HA ' ' A' ' 669' ' ' THR . 0.1 OUTLIER -121.69 144.16 48.94 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.423 -1.046 . . . . 0.0 110.405 -179.733 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 674' ' ' THR . . . . . 0.435 ' HA ' HG22 ' A' ' 669' ' ' THR . 33.1 m -106.31 121.02 43.37 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.425 -0.797 . . . . 0.0 109.457 179.401 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 675' ' ' TYR . . . . . 0.609 ' CE2' ' HB3' ' A' ' 698' ' ' LEU . 22.0 m-85 -131.38 158.98 39.32 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.1 -1.0 . . . . 0.0 111.015 -179.248 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -140.17 138.27 35.05 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.551 -0.718 . . . . 0.0 109.458 179.291 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 677' ' ' CYS . . . . . 0.521 ' O ' ' N ' ' A' ' 665' ' ' GLY . 0.1 OUTLIER -90.35 140.11 30.02 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.211 -0.931 . . . . 0.0 110.239 -179.883 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.97 -9.48 17.06 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.34 -0.85 . . . . 0.0 109.988 179.881 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 679' ' ' GLN . . . . . 0.58 ' HB2' ' CD2' ' A' ' 681' ' ' HIS . 35.9 mt-30 -144.74 144.03 23.18 Favored Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 121.294 -0.879 . . . . 0.0 110.3 179.872 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 680' ' ' PRO . . . . . 0.902 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.2 Cg_exo -58.51 94.66 0.07 OUTLIER 'Trans proline' 0 C--N 1.312 -1.344 0 O-C-N 123.57 1.3 . . . . 0.0 110.417 179.568 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 681' ' ' HIS . . . . . 0.58 ' CD2' ' HB2' ' A' ' 679' ' ' GLN . 22.3 m-70 -133.03 163.57 28.93 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.357 -0.839 . . . . 0.0 110.116 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 9.6 m -102.33 126.8 49.46 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.275 -0.89 . . . . 0.0 110.516 -179.824 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 60.4 p -75.31 145.31 41.9 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.379 -0.825 . . . . 0.0 110.04 179.71 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 684' ' ' LEU . . . . . 0.587 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.7 OUTLIER -141.7 -179.2 6.04 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.12 -0.988 . . . . 0.0 110.647 -179.964 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -69.01 76.15 0.32 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.378 -0.826 . . . . 0.0 109.835 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 686' ' ' GLY . . . . . . . . . . . . . . . 170.27 -25.1 0.1 OUTLIER Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.839 -1.305 . . . . 0.0 109.839 -179.869 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 687' ' ' TRP . . . . . 0.424 ' CD1' HD21 ' A' ' 684' ' ' LEU . 32.3 m0 -86.92 36.46 0.72 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.009 -1.289 . . . . 0.0 110.21 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 688' ' ' GLU . . . . . 0.588 ' HA ' ' CE2' ' A' ' 670' ' ' TYR . 2.0 mt-10 -89.54 -48.3 0.4 Allowed Pre-proline 0 N--CA 1.496 1.859 0 O-C-N 121.25 -0.906 . . . . 0.0 110.693 -179.836 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 689' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.6 Cg_endo -70.28 -4.07 13.64 Favored 'Trans proline' 0 C--N 1.315 -1.2 0 O-C-N 123.253 1.133 . . . . 0.0 110.138 179.87 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 690' ' ' SER . . . . . 0.441 ' O ' ' OG ' ' A' ' 690' ' ' SER . 3.5 p 59.01 52.38 6.38 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.326 -0.859 . . . . 0.0 109.796 -179.281 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 691' ' ' ASN . . . . . 0.639 ' OD1' HG13 ' A' ' 692' ' ' VAL . 10.3 p30 -79.7 9.22 5.34 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.265 -0.897 . . . . 0.0 110.529 -179.716 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 692' ' ' VAL . . . . . 0.639 HG13 ' OD1' ' A' ' 691' ' ' ASN . 9.9 m -131.76 78.71 69.84 Favored Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.263 -0.898 . . . . 0.0 109.887 179.657 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.16 -18.04 55.96 Favored 'Trans proline' 0 C--N 1.313 -1.337 0 O-C-N 123.768 1.404 . . . . 0.0 110.879 -179.771 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -57.82 -33.66 68.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.19 -0.944 . . . . 0.0 110.166 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 695' ' ' LEU . . . . . 1.057 HD13 ' N ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -129.76 -10.67 4.42 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.247 -0.908 . . . . 0.0 110.751 -179.645 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 696' ' ' TRP . . . . . 1.057 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.5 OUTLIER -115.51 96.7 5.76 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.246 -0.909 . . . . 0.0 110.51 -179.759 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -101.48 164.03 11.97 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.371 -0.831 . . . . 0.0 109.515 179.37 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 698' ' ' LEU . . . . . 0.761 HD12 ' N ' ' A' ' 699' ' ' GLN . 0.8 OUTLIER -154.73 -176.09 5.74 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.924 -1.11 . . . . 0.0 110.58 -179.94 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 699' ' ' GLN . . . . . 0.761 ' N ' HD12 ' A' ' 698' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.612 0 O-C-N 121.296 -0.877 . . . . 0.0 110.207 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 655' ' ' ALA . . . . . 0.96 ' N ' ' HG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.076 0.465 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 656' ' ' TRP . . . . . 0.704 ' CD2' ' CE2' ' A' ' 670' ' ' TYR . 80.8 t90 -66.22 125.94 27.16 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.199 -0.938 . . . . 0.0 110.107 179.667 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -117.37 122.91 45.15 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.247 -0.908 . . . . 0.0 110.377 -179.833 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 658' ' ' VAL . . . . . 0.663 HG12 ' CZ3' ' A' ' 656' ' ' TRP . 5.4 m -55.48 143.66 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.154 -0.966 . . . . 0.0 110.061 179.822 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 659' ' ' ASN . . . . . 0.516 ' CB ' ' O ' ' A' ' 658' ' ' VAL . 1.2 t30 70.28 51.93 0.37 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.308 -0.87 . . . . 0.0 109.762 -179.748 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 86.7 m -138.93 137.71 36.69 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.324 -0.86 . . . . 0.0 110.301 -179.846 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -81.26 133.12 35.39 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.251 -0.906 . . . . 0.0 109.914 179.796 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 662' ' ' TYR . . . . . 0.47 ' CD2' ' HB3' ' A' ' 683' ' ' SER . 24.3 m-85 -120.33 150.53 40.59 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.17 -0.956 . . . . 0.0 110.413 -179.843 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 663' ' ' THR . . . . . 0.444 ' O ' ' HB2' ' A' ' 666' ' ' GLN . 0.1 OUTLIER -103.05 164.43 11.62 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.309 -0.869 . . . . 0.0 109.801 179.744 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 664' ' ' ALA . . . . . 0.942 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -64.68 124.02 20.84 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.173 -0.955 . . . . 0.0 110.433 -179.813 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 665' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 92.48 26.05 19.1 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 179.893 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 666' ' ' GLN . . . . . 0.533 ' CB ' ' HB3' ' A' ' 677' ' ' CYS . 0.5 OUTLIER -90.72 176.34 6.69 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.218 -1.166 . . . . 0.0 110.206 179.952 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -134.27 132.77 40.03 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.167 -0.958 . . . . 0.0 110.475 -179.863 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 668' ' ' VAL . . . . . 0.597 HG11 ' HH2' ' A' ' 696' ' ' TRP . 3.0 m -137.37 158.96 35.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.329 -0.857 . . . . 0.0 109.791 179.77 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 669' ' ' THR . . . . . 0.96 ' HG1' ' N ' ' A' ' 655' ' ' ALA . 11.5 p -140.47 124.93 17.83 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.076 -1.015 . . . . 0.0 110.343 179.918 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 670' ' ' TYR . . . . . 0.704 ' CE2' ' CD2' ' A' ' 656' ' ' TRP . 85.5 m-85 -87.98 -173.41 4.25 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.188 -0.945 . . . . 0.0 110.661 -179.697 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 671' ' ' ASN . . . . . 0.475 ' C ' ' O ' ' A' ' 670' ' ' TYR . 57.8 m-80 -32.69 -44.77 0.11 Allowed 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.813 -0.554 . . . . 0.0 111.229 -179.333 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 672' ' ' GLY . . . . . 0.408 ' O ' ' HG2' ' A' ' 673' ' ' LYS . . . -154.82 41.99 0.6 Allowed Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.095 -1.602 . . . . 0.0 109.095 179.847 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 673' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 672' ' ' GLY . 36.9 mttt -140.1 167.44 22.11 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.327 -1.102 . . . . 0.0 110.458 -179.598 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 674' ' ' THR . . . . . 0.692 ' O ' HD12 ' A' ' 698' ' ' LEU . 41.1 m -139.75 125.4 19.34 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.325 -0.859 . . . . 0.0 110.012 179.93 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 675' ' ' TYR . . . . . 0.868 ' CE2' HD13 ' A' ' 698' ' ' LEU . 94.9 m-85 -125.04 177.19 6.2 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.088 -1.007 . . . . 0.0 110.687 -179.697 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 676' ' ' LYS . . . . . 0.484 ' HB2' ' O ' ' A' ' 697' ' ' GLN . 4.6 mptt -140.16 104.73 4.89 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.335 -0.853 . . . . 0.0 110.278 -179.917 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 677' ' ' CYS . . . . . 0.533 ' HB3' ' CB ' ' A' ' 666' ' ' GLN . 37.9 t -55.34 139.72 41.98 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.165 -0.959 . . . . 0.0 109.938 179.804 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.49 HD23 ' HG2' ' A' ' 679' ' ' GLN . 1.1 tt -117.59 -19.59 9.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.306 -0.871 . . . . 0.0 110.42 -179.668 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 679' ' ' GLN . . . . . 0.49 ' HG2' HD23 ' A' ' 678' ' ' LEU . 1.9 mm100 -135.0 144.85 52.05 Favored Pre-proline 0 N--CA 1.489 1.496 0 O-C-N 121.182 -0.948 . . . . 0.0 110.35 -179.897 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 680' ' ' PRO . . . . . 0.942 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.0 Cg_exo -59.78 103.89 0.21 Allowed 'Trans proline' 0 C--N 1.312 -1.355 0 O-C-N 123.573 1.302 . . . . 0.0 110.462 179.861 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 681' ' ' HIS . . . . . 0.514 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 26.4 m-70 -147.64 170.22 17.99 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.253 -0.904 . . . . 0.0 110.12 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 682' ' ' THR . . . . . 0.434 ' O ' ' CD1' ' A' ' 684' ' ' LEU . 3.0 m -105.96 128.33 53.74 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.252 -0.905 . . . . 0.0 110.301 -179.723 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 683' ' ' SER . . . . . 0.664 ' C ' HD13 ' A' ' 684' ' ' LEU . 0.0 OUTLIER -89.77 142.86 27.29 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.272 -0.892 . . . . 0.0 109.854 179.603 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 684' ' ' LEU . . . . . 0.896 HD13 ' N ' ' A' ' 684' ' ' LEU . 0.0 OUTLIER -153.03 -166.88 2.57 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.195 -0.941 . . . . 0.0 110.773 -179.923 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -62.24 82.53 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.39 -0.819 . . . . 0.0 109.945 179.901 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 686' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 164.81 -38.78 0.29 Allowed Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 -179.84 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 687' ' ' TRP . . . . . 0.402 ' CZ3' ' HB3' ' A' ' 681' ' ' HIS . 15.7 m0 -87.2 34.44 0.69 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.268 -1.137 . . . . 0.0 110.207 179.867 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 688' ' ' GLU . . . . . 0.574 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 0.8 OUTLIER -90.16 -48.86 0.37 Allowed Pre-proline 0 N--CA 1.494 1.765 0 O-C-N 121.178 -0.951 . . . . 0.0 110.814 -179.629 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 689' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.7 Cg_endo -69.25 -5.09 15.04 Favored 'Trans proline' 0 C--N 1.314 -1.282 0 O-C-N 123.127 1.067 . . . . 0.0 110.257 -179.712 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 690' ' ' SER . . . . . 0.477 ' O ' ' OG ' ' A' ' 690' ' ' SER . 1.5 p 62.45 50.21 3.77 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.362 -0.836 . . . . 0.0 109.714 -179.567 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 691' ' ' ASN . . . . . 0.676 ' OD1' HG13 ' A' ' 692' ' ' VAL . 17.0 p30 -85.19 19.39 2.24 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.309 -0.869 . . . . 0.0 110.895 -179.426 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 692' ' ' VAL . . . . . 0.676 HG13 ' OD1' ' A' ' 691' ' ' ASN . 11.0 m -137.37 78.6 38.4 Favored Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.122 -0.986 . . . . 0.0 109.925 179.657 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -60.58 -14.19 29.65 Favored 'Trans proline' 0 C--N 1.312 -1.366 0 O-C-N 123.792 1.417 . . . . 0.0 110.854 -179.635 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -63.41 -39.08 93.54 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.083 -1.011 . . . . 0.0 110.104 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 695' ' ' LEU . . . . . 1.111 HD13 ' N ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -116.33 -14.01 11.03 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.251 -0.906 . . . . 0.0 110.129 179.905 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 696' ' ' TRP . . . . . 1.111 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.1 OUTLIER -104.98 112.56 25.74 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.237 -0.914 . . . . 0.0 110.275 179.802 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 697' ' ' GLN . . . . . 0.484 ' O ' ' HB2' ' A' ' 676' ' ' LYS . 19.8 tp60 -99.71 86.61 3.35 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.219 -0.926 . . . . 0.0 109.851 179.695 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 698' ' ' LEU . . . . . 0.868 HD13 ' CE2' ' A' ' 675' ' ' TYR . 22.4 tp -66.95 157.84 32.33 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.214 -0.929 . . . . 0.0 110.576 -179.611 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 699' ' ' GLN . . . . . 0.613 ' H ' HD12 ' A' ' 698' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.381 -0.824 . . . . 0.0 110.233 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 655' ' ' ALA . . . . . 0.614 ' N ' ' HG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.265 0.555 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 656' ' ' TRP . . . . . 0.667 ' CD2' ' CE2' ' A' ' 670' ' ' TYR . 91.9 t90 -87.28 147.76 25.39 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.211 -0.93 . . . . 0.0 110.202 179.854 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 657' ' ' GLN . . . . . 0.443 ' HG3' ' C ' ' A' ' 656' ' ' TRP . 37.9 mt-30 -146.53 155.8 42.78 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.31 -0.869 . . . . 0.0 110.114 179.896 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 658' ' ' VAL . . . . . 0.421 ' O ' ' CB ' ' A' ' 659' ' ' ASN . 33.2 m -77.78 152.96 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.173 -0.954 . . . . 0.0 110.113 179.961 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 659' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 658' ' ' VAL . 0.9 OUTLIER 64.47 51.37 2.02 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.168 -0.957 . . . . 0.0 109.956 -179.825 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 16.0 m -134.45 128.11 32.84 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.259 -0.9 . . . . 0.0 110.333 -179.874 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -84.18 110.68 18.71 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.31 -0.869 . . . . 0.0 109.975 179.814 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 662' ' ' TYR . . . . . 0.474 ' O ' ' HA ' ' A' ' 680' ' ' PRO . 18.2 m-85 -99.97 152.67 19.92 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.208 -0.932 . . . . 0.0 110.517 -179.762 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 663' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 21.1 p -106.71 173.45 6.32 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.366 -0.834 . . . . 0.0 109.755 179.532 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 664' ' ' ALA . . . . . 0.833 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -68.64 130.52 43.07 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.117 -0.989 . . . . 0.0 110.241 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 665' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 86.63 28.08 27.81 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.73 -1.348 . . . . 0.0 109.73 179.748 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 666' ' ' GLN . . . . . 0.484 ' HB3' ' HB2' ' A' ' 677' ' ' CYS . 1.3 tm0? -89.97 -174.17 4.14 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.17 -1.194 . . . . 0.0 109.978 179.845 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 667' ' ' LEU . . . . . 0.807 HD23 ' N ' ' A' ' 668' ' ' VAL . 5.0 tt -152.43 130.7 12.02 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.135 -0.978 . . . . 0.0 110.526 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 668' ' ' VAL . . . . . 0.807 ' N ' HD23 ' A' ' 667' ' ' LEU . 2.6 m -137.13 171.17 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.313 -0.867 . . . . 0.0 109.827 179.733 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 669' ' ' THR . . . . . 0.614 ' HG1' ' N ' ' A' ' 655' ' ' ALA . 40.3 p -140.32 119.2 12.56 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.147 -0.97 . . . . 0.0 110.454 179.727 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 670' ' ' TYR . . . . . 0.667 ' CE2' ' CD2' ' A' ' 656' ' ' TRP . 83.9 m-85 -89.58 94.51 9.89 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.238 -0.914 . . . . 0.0 110.205 179.838 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 671' ' ' ASN . . . . . 0.453 ' CB ' ' O ' ' A' ' 670' ' ' TYR . 0.5 OUTLIER 65.46 -71.59 0.08 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.242 -0.911 . . . . 0.0 110.419 179.998 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 672' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 670' ' ' TYR . . . -141.53 17.19 2.66 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.679 -1.369 . . . . 0.0 109.679 -179.882 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 673' ' ' LYS . . . . . 0.515 ' O ' ' HA ' ' A' ' 669' ' ' THR . 4.1 mmtp -109.12 149.85 28.71 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.21 -1.171 . . . . 0.0 110.241 -179.942 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 674' ' ' THR . . . . . 0.446 ' O ' ' HB2' ' A' ' 698' ' ' LEU . 98.3 m -105.78 131.83 52.64 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.355 -0.841 . . . . 0.0 110.05 179.934 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 675' ' ' TYR . . . . . 0.625 ' CE2' ' HB3' ' A' ' 698' ' ' LEU . 33.0 m-85 -136.28 158.53 44.2 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.263 -0.898 . . . . 0.0 110.606 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.93 131.39 32.97 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.438 -0.789 . . . . 0.0 110.015 179.703 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 677' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 665' ' ' GLY . 0.5 OUTLIER -79.41 142.64 35.77 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.286 -0.883 . . . . 0.0 110.029 179.965 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.465 ' HB3' ' HA ' ' A' ' 695' ' ' LEU . 3.9 tp -115.07 -16.79 11.57 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.183 -0.948 . . . . 0.0 110.41 -179.897 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 679' ' ' GLN . . . . . 0.494 ' HB3' ' NE2' ' A' ' 681' ' ' HIS . 3.0 mm-40 -141.38 142.73 27.6 Favored Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.178 -0.951 . . . . 0.0 110.354 -179.884 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 680' ' ' PRO . . . . . 0.833 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.2 Cg_exo -59.89 110.7 0.79 Allowed 'Trans proline' 0 C--N 1.313 -1.307 0 O-C-N 123.638 1.336 . . . . 0.0 110.916 179.746 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 681' ' ' HIS . . . . . 0.519 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 43.9 m-70 -150.62 -174.89 4.9 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.244 -0.91 . . . . 0.0 110.091 179.737 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 682' ' ' THR . . . . . 0.566 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 12.1 m -118.04 121.37 40.44 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.237 -0.914 . . . . 0.0 110.582 -179.668 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 683' ' ' SER . . . . . 0.536 ' HA ' ' CE3' ' A' ' 687' ' ' TRP . 3.4 m -83.56 147.36 27.81 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.34 -0.85 . . . . 0.0 110.059 179.756 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 684' ' ' LEU . . . . . 0.551 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.5 OUTLIER -154.96 -171.68 3.92 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.206 -0.934 . . . . 0.0 110.534 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -64.12 70.79 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.372 -0.83 . . . . 0.0 110.095 179.894 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 686' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . -176.09 -36.82 0.05 OUTLIER Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.131 -1.588 . . . . 0.0 109.131 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 687' ' ' TRP . . . . . 0.566 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 47.7 m0 -89.19 38.75 0.91 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.337 -1.096 . . . . 0.0 110.1 179.86 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 688' ' ' GLU . . . . . 0.581 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.7 mt-10 -89.52 -48.76 0.4 Allowed Pre-proline 0 N--CA 1.494 1.738 0 O-C-N 121.266 -0.896 . . . . 0.0 110.563 -179.768 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 689' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.5 Cg_endo -70.65 -6.35 18.84 Favored 'Trans proline' 0 C--N 1.314 -1.287 0 O-C-N 123.187 1.098 . . . . 0.0 109.843 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 690' ' ' SER . . . . . 0.479 ' CB ' ' CE2' ' A' ' 675' ' ' TYR . 1.9 p 61.58 51.5 4.01 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.393 -0.817 . . . . 0.0 109.615 -179.469 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 691' ' ' ASN . . . . . 0.633 ' OD1' HG13 ' A' ' 692' ' ' VAL . 12.3 p30 -82.64 14.82 2.9 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.285 -0.884 . . . . 0.0 110.664 -179.642 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 692' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 692' ' ' VAL . 30.6 m -136.62 80.31 38.41 Favored Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.1 -1.0 . . . . 0.0 110.135 179.762 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.86 -13.79 32.88 Favored 'Trans proline' 0 C--N 1.312 -1.36 0 O-C-N 123.734 1.387 . . . . 0.0 110.512 -179.929 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -54.65 -33.47 60.72 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.24 -0.913 . . . . 0.0 110.363 -179.896 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 695' ' ' LEU . . . . . 0.889 HD12 ' N ' ' A' ' 696' ' ' TRP . 1.2 pp -130.97 -4.14 3.99 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.29 -0.882 . . . . 0.0 110.437 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 696' ' ' TRP . . . . . 0.889 ' N ' HD12 ' A' ' 695' ' ' LEU . 1.1 m95 -113.84 97.94 6.71 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.15 -0.969 . . . . 0.0 110.619 -179.639 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -101.08 108.6 20.34 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.15 -0.969 . . . . 0.0 109.773 179.476 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 698' ' ' LEU . . . . . 0.686 HD12 ' N ' ' A' ' 699' ' ' GLN . 0.5 OUTLIER -102.3 -179.15 3.9 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.195 -0.941 . . . . 0.0 110.829 -179.459 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 699' ' ' GLN . . . . . 0.686 ' N ' HD12 ' A' ' 698' ' ' LEU . 1.8 pt20 . . . . . 0 N--CA 1.492 1.674 0 O-C-N 121.451 -0.781 . . . . 0.0 110.32 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 655' ' ' ALA . . . . . 0.517 ' HB1' ' O ' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.255 0.55 . . . . 0.0 110.278 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 656' ' ' TRP . . . . . 0.929 ' CH2' HG12 ' A' ' 658' ' ' VAL . 84.4 t90 -61.19 152.08 29.73 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.177 -0.952 . . . . 0.0 110.028 179.896 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -141.15 150.17 42.45 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.178 -0.951 . . . . 0.0 110.358 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 658' ' ' VAL . . . . . 0.929 HG12 ' CH2' ' A' ' 656' ' ' TRP . 11.6 m -86.68 158.86 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.344 -0.847 . . . . 0.0 110.101 179.908 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 659' ' ' ASN . . . . . 0.463 ' HB3' ' O ' ' A' ' 658' ' ' VAL . 52.3 t30 67.12 45.21 1.76 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.24 -0.913 . . . . 0.0 109.926 -179.853 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 2.9 m -140.38 164.26 30.58 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.256 -0.903 . . . . 0.0 110.491 -179.608 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 661' ' ' ALA . . . . . 0.442 ' HA ' ' HA ' ' A' ' 682' ' ' THR . . . -115.89 115.42 26.19 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.281 -0.887 . . . . 0.0 110.008 179.77 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 662' ' ' TYR . . . . . 0.467 ' O ' ' HA ' ' A' ' 680' ' ' PRO . 23.9 m-85 -101.07 155.08 18.19 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.128 -0.983 . . . . 0.0 110.344 -179.834 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 34.8 p -101.01 160.73 14.13 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.316 -0.865 . . . . 0.0 110.181 -179.906 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 664' ' ' ALA . . . . . 0.922 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -55.1 125.18 19.42 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.276 -0.89 . . . . 0.0 110.238 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 665' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 89.5 33.47 9.28 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.717 -1.353 . . . . 0.0 109.717 179.835 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 666' ' ' GLN . . . . . 0.512 ' HB2' ' HB3' ' A' ' 677' ' ' CYS . 0.0 OUTLIER -89.57 168.59 12.04 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.21 -1.17 . . . . 0.0 110.307 179.988 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 667' ' ' LEU . . . . . 0.591 HD13 ' C ' ' A' ' 667' ' ' LEU . 0.9 OUTLIER -128.05 105.08 8.14 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.248 -0.908 . . . . 0.0 110.161 -179.947 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 668' ' ' VAL . . . . . 0.482 ' CG2' ' HB2' ' A' ' 675' ' ' TYR . 2.6 m -115.33 166.24 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.183 -0.948 . . . . 0.0 110.005 179.897 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 669' ' ' THR . . . . . 0.517 ' O ' ' HB1' ' A' ' 655' ' ' ALA . 1.0 OUTLIER -140.6 121.35 14.38 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.131 -0.981 . . . . 0.0 109.984 179.539 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 670' ' ' TYR . . . . . 0.685 ' CE2' ' CD2' ' A' ' 656' ' ' TRP . 76.3 m-85 -90.96 77.89 6.07 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.054 -1.029 . . . . 0.0 110.466 -179.736 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 671' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 670' ' ' TYR . 2.3 m-20 41.31 84.46 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.382 -0.824 . . . . 0.0 110.456 179.701 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . 93.34 -24.04 27.13 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 179.753 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 673' ' ' LYS . . . . . 0.514 ' O ' ' HA ' ' A' ' 669' ' ' THR . 10.9 tptt -100.72 159.13 15.44 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.099 -1.236 . . . . 0.0 110.402 -179.708 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 674' ' ' THR . . . . . 0.508 ' O ' HD12 ' A' ' 698' ' ' LEU . 40.2 m -140.09 115.22 9.76 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.429 -0.794 . . . . 0.0 110.032 179.788 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 675' ' ' TYR . . . . . 0.637 ' CZ ' HD13 ' A' ' 698' ' ' LEU . 39.2 m-85 -110.44 169.71 8.56 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.205 -0.934 . . . . 0.0 110.587 -179.878 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 676' ' ' LYS . . . . . 0.528 ' HB2' ' O ' ' A' ' 697' ' ' GLN . 0.1 OUTLIER -129.98 93.34 3.48 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.432 -0.793 . . . . 0.0 110.027 -179.941 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 677' ' ' CYS . . . . . 0.512 ' HB3' ' HB2' ' A' ' 666' ' ' GLN . 0.1 OUTLIER -48.29 144.85 3.65 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.244 -0.91 . . . . 0.0 110.388 -179.792 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.35 -2.41 6.88 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.258 -0.901 . . . . 0.0 110.657 -179.713 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 679' ' ' GLN . . . . . 0.41 ' HA ' ' HD3' ' A' ' 680' ' ' PRO . 44.2 mt-30 -145.73 139.97 15.28 Favored Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.113 -0.992 . . . . 0.0 110.494 -179.816 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 680' ' ' PRO . . . . . 0.922 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 2.7 Cg_endo -64.87 93.54 0.21 Allowed 'Trans proline' 0 C--N 1.315 -1.211 0 O-C-N 123.509 1.268 . . . . 0.0 110.375 179.715 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 681' ' ' HIS . . . . . 0.468 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 2.3 m-70 -136.79 -176.26 4.3 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.213 -0.93 . . . . 0.0 110.101 -179.931 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 682' ' ' THR . . . . . 0.442 ' HA ' ' HA ' ' A' ' 661' ' ' ALA . 40.4 m -116.37 126.06 52.95 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.321 -0.862 . . . . 0.0 110.25 179.939 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 683' ' ' SER . . . . . 0.44 ' HA ' ' CE3' ' A' ' 687' ' ' TRP . 2.5 m -89.62 146.26 24.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.289 -0.882 . . . . 0.0 110.049 179.819 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 684' ' ' LEU . . . . . 0.542 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.5 OUTLIER -145.21 -171.16 3.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.324 -0.86 . . . . 0.0 110.346 -179.839 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -65.08 67.05 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.35 -0.844 . . . . 0.0 110.116 179.87 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 686' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . -174.92 -33.46 0.04 OUTLIER Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 -179.889 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 687' ' ' TRP . . . . . 0.44 ' CE3' ' HA ' ' A' ' 683' ' ' SER . 43.9 m0 -86.93 34.14 0.67 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.122 -1.222 . . . . 0.0 110.398 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 688' ' ' GLU . . . . . 0.609 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.2 mt-10 -87.22 -47.11 0.5 Allowed Pre-proline 0 N--CA 1.494 1.756 0 O-C-N 121.202 -0.936 . . . . 0.0 110.593 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 689' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.7 Cg_endo -69.08 -5.53 16.01 Favored 'Trans proline' 0 C--N 1.314 -1.26 0 O-C-N 123.235 1.123 . . . . 0.0 110.145 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 690' ' ' SER . . . . . 0.474 ' O ' ' OG ' ' A' ' 690' ' ' SER . 1.5 p 64.55 51.66 1.92 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.381 -0.825 . . . . 0.0 109.655 -179.502 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 691' ' ' ASN . . . . . 0.871 ' OD1' HG13 ' A' ' 692' ' ' VAL . 16.6 p30 -79.88 6.44 11.13 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.236 -0.915 . . . . 0.0 110.717 -179.542 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 692' ' ' VAL . . . . . 0.871 HG13 ' OD1' ' A' ' 691' ' ' ASN . 16.7 m -132.03 76.91 72.66 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.144 -0.973 . . . . 0.0 110.076 179.639 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -60.36 -24.48 77.74 Favored 'Trans proline' 0 C--N 1.311 -1.404 0 O-C-N 123.738 1.388 . . . . 0.0 110.529 -179.905 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -47.7 -30.44 3.82 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.174 -0.954 . . . . 0.0 109.743 179.746 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 695' ' ' LEU . . . . . 0.767 ' C ' HD12 ' A' ' 695' ' ' LEU . 3.4 pp -127.04 -5.5 6.17 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.35 -0.844 . . . . 0.0 110.013 179.557 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 696' ' ' TRP . . . . . 0.738 ' N ' HD12 ' A' ' 695' ' ' LEU . 0.5 OUTLIER -106.97 105.41 15.43 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.143 -0.973 . . . . 0.0 110.002 179.842 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 697' ' ' GLN . . . . . 0.528 ' O ' ' HB2' ' A' ' 676' ' ' LYS . 3.9 tt0 -99.34 82.69 2.72 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.107 -0.996 . . . . 0.0 109.657 179.731 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 698' ' ' LEU . . . . . 0.637 HD13 ' CZ ' ' A' ' 675' ' ' TYR . 40.8 tp -63.1 158.39 19.82 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.039 -1.038 . . . . 0.0 110.54 -179.484 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 699' ' ' GLN . . . . . 0.561 ' H ' HD12 ' A' ' 698' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.291 -0.88 . . . . 0.0 110.214 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 655' ' ' ALA . . . . . 0.921 ' N ' ' HG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 121.249 0.547 . . . . 0.0 110.131 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 656' ' ' TRP . . . . . 0.647 ' CD1' ' CZ ' ' A' ' 670' ' ' TYR . 52.0 t90 -63.34 144.19 57.17 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.275 -0.891 . . . . 0.0 110.095 179.834 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -139.1 128.43 24.18 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.309 -0.87 . . . . 0.0 110.363 -179.88 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 658' ' ' VAL . . . . . 0.643 HG13 ' CH2' ' A' ' 656' ' ' TRP . 6.6 m -61.97 158.27 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.306 -0.871 . . . . 0.0 110.232 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 53.66 52.82 12.46 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.268 -0.895 . . . . 0.0 109.726 -179.747 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 660' ' ' THR . . . . . 0.422 ' O ' ' HA ' ' A' ' 682' ' ' THR . 22.1 m -136.57 155.21 50.24 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.353 -0.842 . . . . 0.0 110.453 -179.68 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -103.63 114.63 29.05 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.233 -0.917 . . . . 0.0 110.109 179.893 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -105.85 155.83 18.94 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.299 -0.876 . . . . 0.0 110.04 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 12.7 p -99.8 177.58 5.08 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.18 -0.95 . . . . 0.0 110.102 179.929 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 664' ' ' ALA . . . . . 0.841 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -73.75 129.68 38.43 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.343 -0.848 . . . . 0.0 110.246 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 665' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 79.57 32.93 36.12 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.714 -1.354 . . . . 0.0 109.714 179.696 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 666' ' ' GLN . . . . . 0.429 ' HB3' ' HB3' ' A' ' 677' ' ' CYS . 5.4 tp-100 -89.98 160.71 16.24 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.309 -1.112 . . . . 0.0 110.146 179.769 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 667' ' ' LEU . . . . . 0.758 HD13 ' C ' ' A' ' 667' ' ' LEU . 3.4 tm? -114.11 112.16 22.76 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.164 -0.96 . . . . 0.0 110.229 -179.962 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 668' ' ' VAL . . . . . . . . . . . . . 2.3 m -125.65 166.08 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.228 -0.92 . . . . 0.0 109.843 179.69 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 669' ' ' THR . . . . . 0.921 ' HG1' ' N ' ' A' ' 655' ' ' ALA . 2.6 p -139.91 123.94 17.66 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.191 -0.943 . . . . 0.0 110.166 179.863 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 670' ' ' TYR . . . . . 0.647 ' CZ ' ' CD1' ' A' ' 656' ' ' TRP . 14.5 m-85 -88.54 80.52 7.34 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.179 -0.951 . . . . 0.0 110.009 179.924 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 44.22 81.53 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.304 -0.873 . . . . 0.0 110.952 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . 84.14 -10.19 61.54 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 110.329 -1.109 . . . . 0.0 110.329 179.264 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 673' ' ' LYS . . . . . 0.553 ' HB2' ' HB2' ' A' ' 670' ' ' TYR . 5.5 mmtt -99.66 146.04 26.93 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.096 -1.238 . . . . 0.0 110.215 -179.832 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 674' ' ' THR . . . . . 0.472 ' HB ' ' HG3' ' A' ' 699' ' ' GLN . 0.4 OUTLIER -108.54 128.81 55.14 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.33 -0.856 . . . . 0.0 109.991 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 675' ' ' TYR . . . . . 0.616 ' CE1' ' HB3' ' A' ' 698' ' ' LEU . 21.0 m-85 -138.8 154.83 48.51 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.219 -0.926 . . . . 0.0 110.871 -179.815 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 676' ' ' LYS . . . . . 0.43 ' HD2' ' OE1' ' A' ' 699' ' ' GLN . 0.0 OUTLIER -131.26 101.04 5.39 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.462 -0.773 . . . . 0.0 110.318 -179.655 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 677' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 665' ' ' GLY . 5.8 t -57.23 148.09 23.41 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.257 -0.902 . . . . 0.0 110.126 179.714 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.51 ' O ' ' HB1' ' A' ' 664' ' ' ALA . 0.2 OUTLIER -120.19 -21.21 7.07 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.223 -0.923 . . . . 0.0 110.671 -179.738 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 679' ' ' GLN . . . . . 0.477 ' HB2' ' CD2' ' A' ' 681' ' ' HIS . 14.7 mm100 -133.38 147.07 63.42 Favored Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.133 -0.979 . . . . 0.0 110.637 -179.687 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 680' ' ' PRO . . . . . 0.841 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 2.7 Cg_endo -62.98 100.37 0.24 Allowed 'Trans proline' 0 C--N 1.314 -1.271 0 O-C-N 123.643 1.339 . . . . 0.0 110.531 179.894 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 681' ' ' HIS . . . . . 0.477 ' CD2' ' HB2' ' A' ' 679' ' ' GLN . 48.3 m-70 -142.36 -177.14 5.12 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.164 -0.96 . . . . 0.0 110.309 179.872 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 682' ' ' THR . . . . . 0.431 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 31.7 m -114.67 123.18 48.65 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.334 -0.854 . . . . 0.0 110.185 -179.927 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 683' ' ' SER . . . . . 0.4 ' HA ' ' CE3' ' A' ' 687' ' ' TRP . 0.1 OUTLIER -77.44 147.62 35.86 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.327 -0.858 . . . . 0.0 109.779 179.729 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 684' ' ' LEU . . . . . 0.667 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.7 OUTLIER -155.41 -176.21 5.83 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.34 -0.85 . . . . 0.0 110.601 -179.923 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -64.92 64.67 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.559 -0.713 . . . . 0.0 110.211 -179.811 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 686' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . -169.49 -36.4 0.02 OUTLIER Glycine 0 N--CA 1.489 2.183 0 N-CA-C 109.135 -1.586 . . . . 0.0 109.135 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 687' ' ' TRP . . . . . 0.431 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 44.8 m0 -87.68 37.1 0.78 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.291 -1.123 . . . . 0.0 110.059 179.742 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 688' ' ' GLU . . . . . 0.591 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.5 mt-10 -88.42 -48.22 0.44 Allowed Pre-proline 0 N--CA 1.497 1.89 0 O-C-N 121.276 -0.89 . . . . 0.0 110.459 -179.851 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 689' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.5 Cg_endo -70.22 -4.56 14.59 Favored 'Trans proline' 0 C--N 1.314 -1.272 0 O-C-N 123.271 1.143 . . . . 0.0 109.861 179.832 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 690' ' ' SER . . . . . 0.513 ' CB ' ' CE1' ' A' ' 675' ' ' TYR . 4.8 p 56.9 45.73 20.9 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.313 -0.867 . . . . 0.0 109.462 -179.209 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 691' ' ' ASN . . . . . 0.502 ' OD1' HG13 ' A' ' 692' ' ' VAL . 21.3 p30 -79.56 4.19 16.58 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.437 -0.79 . . . . 0.0 110.187 -179.787 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 692' ' ' VAL . . . . . 0.522 HG23 ' HD1' ' A' ' 696' ' ' TRP . 1.2 m -119.84 78.7 23.43 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.344 -0.848 . . . . 0.0 110.037 179.689 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -60.93 -16.08 42.76 Favored 'Trans proline' 0 C--N 1.311 -1.434 0 O-C-N 123.78 1.411 . . . . 0.0 110.43 -179.912 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -56.77 -32.75 65.93 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.282 -0.886 . . . . 0.0 110.223 -179.906 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 695' ' ' LEU . . . . . 0.85 HD12 ' N ' ' A' ' 696' ' ' TRP . 1.2 pp -133.58 -2.43 3.03 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.253 -0.905 . . . . 0.0 110.731 -179.789 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 696' ' ' TRP . . . . . 0.85 ' N ' HD12 ' A' ' 695' ' ' LEU . 2.3 m95 -120.65 95.55 4.77 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.982 -1.073 . . . . 0.0 110.443 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 39.6 tp60 -99.9 105.14 16.83 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.264 -0.898 . . . . 0.0 109.777 179.637 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 698' ' ' LEU . . . . . 0.74 HD12 ' N ' ' A' ' 699' ' ' GLN . 0.4 OUTLIER -82.68 171.45 14.0 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.176 -0.953 . . . . 0.0 110.679 -179.398 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 699' ' ' GLN . . . . . 0.74 ' N ' HD12 ' A' ' 698' ' ' LEU . 2.9 pt20 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.424 -0.797 . . . . 0.0 110.18 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 656' ' ' TRP . . . . . 1.153 ' CH2' HG22 ' A' ' 658' ' ' VAL . 30.2 t90 . . . . . 0 N--CA 1.493 1.719 0 CA-C-O 121.222 0.534 . . . . 0.0 109.958 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -119.94 122.66 41.71 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.206 -0.934 . . . . 0.0 110.447 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 658' ' ' VAL . . . . . 1.153 HG22 ' CH2' ' A' ' 656' ' ' TRP . 2.9 t -73.23 145.51 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.265 -0.897 . . . . 0.0 109.884 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 659' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 658' ' ' VAL . 3.0 m-80 60.56 53.31 4.17 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.22 -0.925 . . . . 0.0 110.059 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 660' ' ' THR . . . . . 0.495 ' O ' HG23 ' A' ' 682' ' ' THR . 8.0 m -136.34 173.5 11.63 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.165 -0.96 . . . . 0.0 110.388 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . 0.446 ' H ' HG22 ' A' ' 660' ' ' THR . . . -110.84 112.96 25.18 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.247 -0.908 . . . . 0.0 109.975 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -108.31 153.07 23.77 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.192 -0.943 . . . . 0.0 110.414 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 663' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 664' ' ' ALA . 60.4 p -112.97 148.34 35.26 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.323 -0.861 . . . . 0.0 109.912 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 664' ' ' ALA . . . . . 1.007 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -43.24 147.75 0.34 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.296 -0.877 . . . . 0.0 110.102 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 76.94 20.52 75.89 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 666' ' ' GLN . . . . . 0.518 ' HB2' ' HB3' ' A' ' 677' ' ' CYS . 0.9 OUTLIER -88.41 172.6 9.26 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.238 -1.154 . . . . 0.0 110.101 179.888 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 667' ' ' LEU . . . . . 0.463 ' HG ' ' HG3' ' A' ' 676' ' ' LYS . 1.2 tt -137.65 111.47 8.25 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.308 -0.87 . . . . 0.0 110.437 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 668' ' ' VAL . . . . . 0.569 HG21 ' CH2' ' A' ' 696' ' ' TRP . 2.3 m -116.36 161.45 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.206 -0.934 . . . . 0.0 109.9 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 4.0 p . . . . . 0 N--CA 1.492 1.659 0 O-C-N 121.143 -0.973 . . . . 0.0 110.279 179.729 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 674' ' ' THR . . . . . . . . . . . . . 7.2 m . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.19 0.519 . . . . 0.0 110.062 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 675' ' ' TYR . . . . . 0.62 ' CE1' ' HB3' ' A' ' 698' ' ' LEU . 18.0 m-85 -142.18 147.51 36.72 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.22 -0.925 . . . . 0.0 110.52 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . 0.463 ' HG3' ' HG ' ' A' ' 667' ' ' LEU . 0.0 OUTLIER -130.15 107.57 9.4 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.37 -0.831 . . . . 0.0 110.343 -179.804 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . 0.522 ' O ' HD12 ' A' ' 678' ' ' LEU . 0.1 OUTLIER -61.31 136.02 57.91 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.224 -0.922 . . . . 0.0 110.144 179.847 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.522 HD12 ' O ' ' A' ' 677' ' ' CYS . 1.9 mp -120.48 -3.66 9.88 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.147 -0.971 . . . . 0.0 110.466 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 679' ' ' GLN . . . . . 0.462 ' HB2' ' CB ' ' A' ' 695' ' ' LEU . 0.0 OUTLIER -135.87 131.27 18.95 Favored Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 121.109 -0.994 . . . . 0.0 110.201 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 680' ' ' PRO . . . . . 1.007 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.1 Cg_exo -62.16 109.04 0.75 Allowed 'Trans proline' 0 C--N 1.315 -1.225 0 O-C-N 123.508 1.267 . . . . 0.0 110.842 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 681' ' ' HIS . . . . . 0.536 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 8.4 m-70 -155.62 -168.98 2.97 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.417 -0.802 . . . . 0.0 110.108 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 682' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 660' ' ' THR . 24.9 m -117.83 125.29 50.27 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.145 -0.972 . . . . 0.0 110.527 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.79 136.86 47.25 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.226 -0.921 . . . . 0.0 109.771 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . 0.732 ' H ' HD23 ' A' ' 684' ' ' LEU . 1.6 pt? -132.47 167.48 19.88 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.174 -0.954 . . . . 0.0 110.779 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -63.4 71.6 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.475 -0.765 . . . . 0.0 110.316 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 686' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 178.02 -31.94 0.07 OUTLIER Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 18.3 m0 -88.55 36.27 0.79 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.282 -1.128 . . . . 0.0 109.808 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 688' ' ' GLU . . . . . 0.624 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 2.1 mt-10 -86.91 -46.2 0.52 Allowed Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 121.355 -0.84 . . . . 0.0 110.808 -179.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 689' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.5 Cg_endo -68.09 -5.78 15.58 Favored 'Trans proline' 0 C--N 1.314 -1.244 0 O-C-N 123.206 1.109 . . . . 0.0 110.22 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 690' ' ' SER . . . . . 0.497 ' CB ' ' CE1' ' A' ' 675' ' ' TYR . 1.3 p 66.78 51.98 0.99 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.331 -0.855 . . . . 0.0 109.691 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 691' ' ' ASN . . . . . 0.759 ' OD1' HG13 ' A' ' 692' ' ' VAL . 13.3 p30 -79.62 9.39 5.06 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.213 -0.929 . . . . 0.0 110.586 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 692' ' ' VAL . . . . . 0.759 HG13 ' OD1' ' A' ' 691' ' ' ASN . 15.8 m -134.23 80.05 53.97 Favored Pre-proline 0 N--CA 1.492 1.633 0 O-C-N 121.168 -0.957 . . . . 0.0 109.905 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -59.54 -23.4 70.78 Favored 'Trans proline' 0 C--N 1.311 -1.412 0 O-C-N 123.675 1.355 . . . . 0.0 110.244 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -44.57 -27.06 0.43 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.296 -0.878 . . . . 0.0 109.685 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 695' ' ' LEU . . . . . 0.687 ' C ' HD12 ' A' ' 695' ' ' LEU . 4.3 pp -137.5 -3.29 1.91 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.299 -0.876 . . . . 0.0 110.791 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 696' ' ' TRP . . . . . 0.569 ' CH2' HG21 ' A' ' 668' ' ' VAL . 0.7 OUTLIER -102.54 104.44 14.85 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.041 -1.037 . . . . 0.0 110.546 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 697' ' ' GLN . . . . . 0.477 ' HB2' HD22 ' A' ' 678' ' ' LEU . 7.0 tp60 -99.74 85.25 3.06 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.277 -0.889 . . . . 0.0 109.696 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . 0.867 HD12 ' N ' ' A' ' 699' ' ' GLN . 0.5 OUTLIER -87.36 167.31 14.15 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.207 -0.933 . . . . 0.0 110.807 -179.397 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 699' ' ' GLN . . . . . 0.867 ' N ' HD12 ' A' ' 698' ' ' LEU . 2.0 pt20 . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.39 -0.819 . . . . 0.0 110.069 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 656' ' ' TRP . . . . . 0.43 ' HB2' ' HB ' ' A' ' 668' ' ' VAL . 54.0 t90 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.2 0.524 . . . . 0.0 110.365 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -114.83 140.8 48.64 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.19 -0.944 . . . . 0.0 110.169 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 658' ' ' VAL . . . . . 0.453 ' H ' HG12 ' A' ' 658' ' ' VAL . 5.9 p -73.16 160.07 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.349 -0.844 . . . . 0.0 110.861 -179.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 57.29 57.09 4.66 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.299 -0.875 . . . . 0.0 110.544 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 660' ' ' THR . . . . . 0.647 HG22 ' HB2' ' A' ' 683' ' ' SER . 3.4 t -140.27 169.66 17.26 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.176 -0.953 . . . . 0.0 110.221 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -117.1 111.41 19.47 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.196 -0.94 . . . . 0.0 109.957 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 662' ' ' TYR . . . . . 0.548 ' CZ ' HG21 ' A' ' 660' ' ' THR . 11.4 m-85 -100.36 158.52 15.83 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.185 -0.947 . . . . 0.0 110.365 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 34.0 p -108.41 163.68 13.0 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.332 -0.855 . . . . 0.0 109.925 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 664' ' ' ALA . . . . . 0.951 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -60.61 119.33 7.88 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.279 -0.888 . . . . 0.0 110.281 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 665' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 97.38 28.31 8.61 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 666' ' ' GLN . . . . . 0.534 ' CB ' ' HB2' ' A' ' 677' ' ' CYS . 0.8 OUTLIER -86.48 177.37 7.43 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.262 -1.14 . . . . 0.0 110.069 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 1.9 tt -140.5 101.09 4.03 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.215 -0.928 . . . . 0.0 110.541 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 668' ' ' VAL . . . . . 0.43 ' HB ' ' HB2' ' A' ' 656' ' ' TRP . 4.2 m -115.57 169.5 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.321 -0.862 . . . . 0.0 109.626 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 41.0 p . . . . . 0 N--CA 1.493 1.685 0 O-C-N 120.994 -1.067 . . . . 0.0 110.553 179.904 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 674' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 698' ' ' LEU . 4.2 m . . . . . 0 N--CA 1.492 1.649 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 675' ' ' TYR . . . . . 0.617 ' CE2' ' HB3' ' A' ' 698' ' ' LEU . 16.8 m-85 -133.67 158.76 42.43 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.172 -0.955 . . . . 0.0 110.923 -179.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . 0.472 ' HG2' ' O ' ' A' ' 697' ' ' GLN . 0.9 OUTLIER -140.3 135.32 32.12 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.4 -0.812 . . . . 0.0 109.823 179.545 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . 0.534 ' HB2' ' CB ' ' A' ' 666' ' ' GLN . 0.0 OUTLIER -81.27 144.77 31.31 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.155 -0.965 . . . . 0.0 110.061 -179.877 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.9 -15.8 11.2 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.302 -0.873 . . . . 0.0 110.489 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -138.65 142.48 34.4 Favored Pre-proline 0 N--CA 1.492 1.633 0 O-C-N 121.166 -0.959 . . . . 0.0 110.391 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 680' ' ' PRO . . . . . 0.951 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.2 Cg_exo -61.92 105.0 0.35 Allowed 'Trans proline' 0 C--N 1.313 -1.302 0 O-C-N 123.617 1.325 . . . . 0.0 110.842 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 681' ' ' HIS . . . . . 0.521 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 14.5 m-70 -147.27 -161.26 1.29 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.299 -0.876 . . . . 0.0 110.029 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 682' ' ' THR . . . . . 0.52 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 21.5 m -130.65 135.23 47.64 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.098 -1.001 . . . . 0.0 110.673 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 683' ' ' SER . . . . . 0.647 ' HB2' HG22 ' A' ' 660' ' ' THR . 59.1 m -90.37 149.49 22.26 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.275 -0.891 . . . . 0.0 110.108 179.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . 0.635 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.7 OUTLIER -151.42 -177.75 6.26 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.344 -0.847 . . . . 0.0 110.233 179.824 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -64.29 74.75 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.238 -0.914 . . . . 0.0 110.011 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 686' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 175.04 -32.06 0.09 OUTLIER Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.626 -1.39 . . . . 0.0 109.626 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 687' ' ' TRP . . . . . 0.52 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 38.9 m0 -86.38 33.38 0.63 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.172 -1.193 . . . . 0.0 110.216 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 688' ' ' GLU . . . . . 0.588 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 0.7 OUTLIER -90.17 -48.44 0.38 Allowed Pre-proline 0 N--CA 1.496 1.841 0 O-C-N 121.222 -0.924 . . . . 0.0 110.759 -179.666 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 689' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.7 Cg_endo -70.54 -0.99 8.41 Favored 'Trans proline' 0 C--N 1.315 -1.205 0 O-C-N 123.258 1.136 . . . . 0.0 110.801 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 690' ' ' SER . . . . . 0.473 ' OG ' ' O ' ' A' ' 689' ' ' PRO . 4.0 p 60.89 56.77 2.78 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.287 -0.883 . . . . 0.0 109.917 -179.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 691' ' ' ASN . . . . . 0.427 ' C ' ' HD3' ' A' ' 693' ' ' PRO . 8.3 m-80 -79.44 -16.42 56.16 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.337 -0.852 . . . . 0.0 110.195 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 692' ' ' VAL . . . . . 0.788 HG23 ' O ' ' A' ' 692' ' ' VAL . 18.6 m -116.87 78.48 9.33 Favored Pre-proline 0 N--CA 1.489 1.52 0 O-C-N 121.168 -0.957 . . . . 0.0 110.217 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 693' ' ' PRO . . . . . 0.427 ' HD3' ' C ' ' A' ' 691' ' ' ASN . 3.0 Cg_exo -60.14 -14.88 30.96 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 O-C-N 123.664 1.349 . . . . 0.0 110.433 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -50.35 -32.37 17.13 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.216 -0.928 . . . . 0.0 110.063 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 695' ' ' LEU . . . . . 1.004 HD12 ' N ' ' A' ' 696' ' ' TRP . 1.0 OUTLIER -128.44 -12.25 5.02 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.206 -0.934 . . . . 0.0 110.557 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 696' ' ' TRP . . . . . 1.004 ' N ' HD12 ' A' ' 695' ' ' LEU . 2.8 m95 -105.29 97.03 6.93 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.171 -0.956 . . . . 0.0 110.37 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 697' ' ' GLN . . . . . 0.472 ' O ' ' HG2' ' A' ' 676' ' ' LYS . 0.4 OUTLIER -105.1 118.79 37.43 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.228 -0.92 . . . . 0.0 109.883 179.647 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . 1.009 HD12 ' N ' ' A' ' 699' ' ' GLN . 2.4 pp -102.29 -173.96 2.46 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.964 -1.085 . . . . 0.0 110.76 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 699' ' ' GLN . . . . . 1.009 ' N ' HD12 ' A' ' 698' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 O-C-N 121.522 -0.736 . . . . 0.0 110.227 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 656' ' ' TRP . . . . . . . . . . . . . 76.2 t90 . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.265 0.555 . . . . 0.0 110.168 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 24.3 mm100 -104.04 114.0 27.94 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.315 -0.866 . . . . 0.0 110.094 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 658' ' ' VAL . . . . . 0.453 HG22 ' OD1' ' A' ' 659' ' ' ASN . 7.1 p -56.55 155.83 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.192 -0.943 . . . . 0.0 110.119 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 659' ' ' ASN . . . . . 0.453 ' OD1' HG22 ' A' ' 658' ' ' VAL . 3.1 m120 50.96 59.29 4.73 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.314 -0.866 . . . . 0.0 110.136 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 660' ' ' THR . . . . . 0.401 HG22 ' N ' ' A' ' 661' ' ' ALA . 24.8 m -140.92 161.08 38.67 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.274 -0.891 . . . . 0.0 110.53 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . 0.401 ' N ' HG22 ' A' ' 660' ' ' THR . . . -104.33 126.57 51.54 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.25 -0.906 . . . . 0.0 109.906 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -120.89 148.58 43.86 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.192 -0.943 . . . . 0.0 110.453 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 56.1 p -100.78 162.04 13.19 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.35 -0.844 . . . . 0.0 109.996 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 664' ' ' ALA . . . . . 0.854 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -58.63 108.06 0.59 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.216 -0.927 . . . . 0.0 110.302 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 665' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 114.89 25.82 3.78 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 666' ' ' GLN . . . . . 0.567 ' CB ' ' HB2' ' A' ' 677' ' ' CYS . 1.4 mm-40 -90.5 -179.26 5.53 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.133 -1.216 . . . . 0.0 110.043 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.91 127.1 22.65 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.276 -0.89 . . . . 0.0 110.67 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 668' ' ' VAL . . . . . 0.496 ' CG2' ' HB2' ' A' ' 675' ' ' TYR . 2.5 m -137.01 156.91 35.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.234 -0.916 . . . . 0.0 109.976 179.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 53.3 p . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.123 -0.986 . . . . 0.0 110.318 179.959 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 674' ' ' THR . . . . . 0.476 ' HB ' ' HG3' ' A' ' 699' ' ' GLN . 87.7 m . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.162 0.506 . . . . 0.0 110.022 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 675' ' ' TYR . . . . . 0.623 ' CE1' ' CB ' ' A' ' 690' ' ' SER . 49.1 m-85 -132.96 158.62 42.21 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.334 -0.854 . . . . 0.0 110.815 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 697' ' ' GLN . 0.4 OUTLIER -134.62 99.51 4.36 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.419 -0.8 . . . . 0.0 109.96 179.73 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . 0.567 ' HB2' ' CB ' ' A' ' 666' ' ' GLN . 0.5 OUTLIER -50.98 134.75 25.73 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.286 -0.884 . . . . 0.0 109.88 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.05 1.08 9.76 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.087 -1.008 . . . . 0.0 110.953 -179.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 679' ' ' GLN . . . . . 0.476 ' HA ' ' HB2' ' A' ' 664' ' ' ALA . 5.5 mt-30 -150.82 148.0 22.21 Favored Pre-proline 0 N--CA 1.493 1.712 0 O-C-N 120.921 -1.112 . . . . 0.0 110.754 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 680' ' ' PRO . . . . . 0.854 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.0 Cg_exo -61.61 99.54 0.18 Allowed 'Trans proline' 0 C--N 1.315 -1.231 0 O-C-N 123.684 1.36 . . . . 0.0 110.462 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 681' ' ' HIS . . . . . 0.464 ' CD2' HD22 ' A' ' 695' ' ' LEU . 34.4 m-70 -147.04 165.35 30.16 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.244 -0.91 . . . . 0.0 110.328 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 682' ' ' THR . . . . . 0.447 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 42.9 m -104.6 135.97 45.01 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.306 -0.871 . . . . 0.0 110.494 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 12.0 p -89.94 145.86 24.81 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.271 -0.893 . . . . 0.0 109.849 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . 0.659 ' H ' HD23 ' A' ' 684' ' ' LEU . 1.2 pt? -158.39 179.56 9.03 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.239 -0.913 . . . . 0.0 110.382 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -60.42 78.66 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.41 -0.806 . . . . 0.0 109.99 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 686' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 171.65 -42.97 0.18 Allowed Glycine 0 N--CA 1.489 2.183 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 687' ' ' TRP . . . . . 0.447 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 46.2 m0 -89.46 37.72 0.88 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.24 -1.153 . . . . 0.0 109.951 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 688' ' ' GLU . . . . . 0.605 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.3 mt-10 -88.24 -47.84 0.45 Allowed Pre-proline 0 N--CA 1.496 1.866 0 O-C-N 121.287 -0.883 . . . . 0.0 110.511 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 689' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.7 Cg_endo -69.26 -4.23 13.27 Favored 'Trans proline' 0 C--N 1.315 -1.203 0 O-C-N 123.244 1.129 . . . . 0.0 110.191 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 690' ' ' SER . . . . . 0.623 ' CB ' ' CE1' ' A' ' 675' ' ' TYR . 1.7 p 62.89 57.7 1.65 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.397 -0.814 . . . . 0.0 109.717 -179.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -79.18 -4.41 50.37 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.319 -0.863 . . . . 0.0 110.668 -179.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 692' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 692' ' ' VAL . 17.8 m -120.78 88.0 43.27 Favored Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.052 -1.03 . . . . 0.0 110.469 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.5 -25.21 79.33 Favored 'Trans proline' 0 C--N 1.31 -1.459 0 O-C-N 123.521 1.274 . . . . 0.0 110.399 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -46.33 -30.63 2.16 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.294 -0.879 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 695' ' ' LEU . . . . . 0.584 ' C ' HD12 ' A' ' 695' ' ' LEU . 4.2 pp -130.34 -4.09 4.34 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.206 -0.934 . . . . 0.0 110.541 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 696' ' ' TRP . . . . . 0.501 ' HA ' ' CE3' ' A' ' 696' ' ' TRP . 1.2 m95 -108.64 99.84 9.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.108 -0.995 . . . . 0.0 110.687 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 697' ' ' GLN . . . . . 0.483 ' O ' ' HB2' ' A' ' 676' ' ' LYS . 6.0 tt0 -99.62 93.18 5.71 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.241 -0.912 . . . . 0.0 109.132 179.116 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . 0.832 HD12 ' N ' ' A' ' 699' ' ' GLN . 0.5 OUTLIER -96.0 -176.24 3.64 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.282 -0.886 . . . . 0.0 111.03 -178.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 699' ' ' GLN . . . . . 0.832 ' N ' HD12 ' A' ' 698' ' ' LEU . 4.9 pt20 . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.522 -0.736 . . . . 0.0 110.265 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 656' ' ' TRP . . . . . 0.46 ' HB2' ' HB ' ' A' ' 668' ' ' VAL . 36.8 t90 . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.308 0.575 . . . . 0.0 110.146 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -136.72 144.55 43.92 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.195 -0.941 . . . . 0.0 110.111 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 658' ' ' VAL . . . . . 0.435 HG12 ' H ' ' A' ' 658' ' ' VAL . 7.4 p -80.03 155.85 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.143 -0.973 . . . . 0.0 110.259 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 57.49 54.17 6.76 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.278 -0.889 . . . . 0.0 110.196 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 660' ' ' THR . . . . . 0.532 HG22 ' N ' ' A' ' 661' ' ' ALA . 58.7 m -140.22 167.54 21.91 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.101 -1.0 . . . . 0.0 110.886 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . 0.532 ' N ' HG22 ' A' ' 660' ' ' THR . . . -113.98 124.74 52.89 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.436 -0.79 . . . . 0.0 109.777 179.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 662' ' ' TYR . . . . . 0.494 ' O ' ' HA ' ' A' ' 680' ' ' PRO . 7.8 m-85 -113.42 151.98 30.66 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.141 -0.974 . . . . 0.0 110.631 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 6.1 p -100.19 154.27 18.58 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.301 -0.874 . . . . 0.0 109.72 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 664' ' ' ALA . . . . . 0.878 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -48.8 135.44 15.19 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.272 -0.893 . . . . 0.0 110.287 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 665' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 77.47 36.0 35.33 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 666' ' ' GLN . . . . . 0.525 ' HB2' ' CB ' ' A' ' 677' ' ' CYS . 0.0 OUTLIER -89.83 169.56 11.15 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.179 -1.189 . . . . 0.0 110.14 179.864 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 667' ' ' LEU . . . . . 0.748 HD13 ' C ' ' A' ' 667' ' ' LEU . 3.3 tm? -129.17 117.26 20.48 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.192 -0.942 . . . . 0.0 110.519 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 668' ' ' VAL . . . . . 0.49 ' N ' HD13 ' A' ' 667' ' ' LEU . 2.0 m -133.66 155.18 39.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.202 -0.936 . . . . 0.0 109.93 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 40.1 p . . . . . 0 N--CA 1.492 1.662 0 O-C-N 121.095 -1.003 . . . . 0.0 110.418 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 674' ' ' THR . . . . . . . . . . . . . 80.0 m . . . . . 0 N--CA 1.493 1.682 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 675' ' ' TYR . . . . . 0.614 ' CE1' ' CB ' ' A' ' 698' ' ' LEU . 93.1 m-85 -130.32 167.55 18.33 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.177 -0.952 . . . . 0.0 111.13 -179.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . 0.507 ' HD2' HD23 ' A' ' 667' ' ' LEU . 0.0 OUTLIER -139.52 102.47 4.47 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.653 -0.654 . . . . 0.0 109.986 -179.697 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . 0.525 ' CB ' ' HB2' ' A' ' 666' ' ' GLN . 0.1 OUTLIER -52.6 142.41 18.21 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.14 -0.975 . . . . 0.0 110.246 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.421 ' O ' ' HB1' ' A' ' 664' ' ' ALA . 0.3 OUTLIER -110.76 -29.0 8.17 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.387 -0.821 . . . . 0.0 110.148 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 679' ' ' GLN . . . . . 0.544 ' HB3' ' NE2' ' A' ' 681' ' ' HIS . 20.3 mt-30 -133.0 148.62 70.14 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.222 -0.924 . . . . 0.0 110.019 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 680' ' ' PRO . . . . . 0.878 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.0 Cg_exo -59.77 102.31 0.17 Allowed 'Trans proline' 0 C--N 1.311 -1.413 0 O-C-N 123.59 1.31 . . . . 0.0 110.336 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 681' ' ' HIS . . . . . 0.544 ' NE2' ' HB3' ' A' ' 679' ' ' GLN . 22.0 m-70 -136.95 -167.04 2.01 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.16 -0.962 . . . . 0.0 110.485 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 682' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 660' ' ' THR . 96.8 m -126.37 128.4 47.0 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.318 -0.864 . . . . 0.0 110.412 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.9 140.81 33.87 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.34 -0.85 . . . . 0.0 109.864 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . 0.707 ' H ' HD23 ' A' ' 684' ' ' LEU . 1.2 pt? -148.97 177.84 9.21 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.205 -0.934 . . . . 0.0 110.686 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -62.45 73.99 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.436 -0.79 . . . . 0.0 110.162 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 686' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 177.67 -39.59 0.09 OUTLIER Glycine 0 N--CA 1.489 2.173 0 N-CA-C 109.169 -1.572 . . . . 0.0 109.169 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 687' ' ' TRP . . . . . 0.401 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 48.0 m0 -89.6 38.82 0.92 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.344 -1.092 . . . . 0.0 109.796 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 688' ' ' GLU . . . . . 0.59 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.6 mt-10 -89.56 -48.98 0.39 Allowed Pre-proline 0 N--CA 1.494 1.762 0 O-C-N 121.237 -0.915 . . . . 0.0 110.516 -179.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 689' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.7 Cg_endo -69.71 -5.74 16.9 Favored 'Trans proline' 0 C--N 1.312 -1.348 0 O-C-N 123.299 1.157 . . . . 0.0 109.99 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 690' ' ' SER . . . . . 0.563 ' CB ' ' CE1' ' A' ' 675' ' ' TYR . 1.7 p 61.11 49.5 5.58 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.319 -0.863 . . . . 0.0 109.818 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 691' ' ' ASN . . . . . 0.741 ' OD1' HG13 ' A' ' 692' ' ' VAL . 13.5 p30 -83.48 15.56 3.01 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.361 -0.837 . . . . 0.0 110.439 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 692' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 692' ' ' VAL . 19.7 m -137.28 81.58 31.12 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.287 -0.883 . . . . 0.0 110.06 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 693' ' ' PRO . . . . . 0.454 ' HA ' ' O ' ' A' ' 696' ' ' TRP . 3.1 Cg_exo -59.54 -18.99 49.99 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.674 1.355 . . . . 0.0 110.498 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 694' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 693' ' ' PRO . . . -44.53 -35.07 2.34 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.283 -0.886 . . . . 0.0 109.843 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 695' ' ' LEU . . . . . 0.751 ' C ' HD12 ' A' ' 695' ' ' LEU . 3.1 pp -134.52 -3.24 2.67 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.374 -0.829 . . . . 0.0 110.552 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 696' ' ' TRP . . . . . 0.746 ' N ' HD12 ' A' ' 695' ' ' LEU . 1.7 m95 -116.42 105.71 12.81 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.035 -1.041 . . . . 0.0 110.345 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -103.18 105.95 16.36 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.205 -0.934 . . . . 0.0 109.648 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . 0.994 HD12 ' N ' ' A' ' 699' ' ' GLN . 0.4 OUTLIER -94.05 175.95 6.51 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.08 -1.012 . . . . 0.0 111.049 -179.203 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 699' ' ' GLN . . . . . 0.994 ' N ' HD12 ' A' ' 698' ' ' LEU . 15.1 pt20 . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.468 -0.77 . . . . 0.0 110.216 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 656' ' ' TRP . . . . . 0.453 ' CH2' ' HB ' ' A' ' 658' ' ' VAL . 88.2 t90 . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.345 0.593 . . . . 0.0 110.251 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 657' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 656' ' ' TRP . 29.3 mt-30 -149.92 115.62 5.57 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.269 -0.894 . . . . 0.0 109.851 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 658' ' ' VAL . . . . . 0.453 ' HB ' ' CH2' ' A' ' 656' ' ' TRP . 12.1 p -48.04 155.79 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.315 -0.865 . . . . 0.0 110.561 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 51.41 59.61 4.46 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.49 -0.756 . . . . 0.0 110.453 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 660' ' ' THR . . . . . 0.639 ' CG2' ' CE1' ' A' ' 662' ' ' TYR . 84.3 m -140.35 138.37 34.81 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.159 -0.963 . . . . 0.0 110.227 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -87.36 128.07 35.2 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.243 -0.911 . . . . 0.0 110.095 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 662' ' ' TYR . . . . . 0.639 ' CE1' ' CG2' ' A' ' 660' ' ' THR . 20.5 m-85 -119.64 150.82 39.7 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.221 -0.924 . . . . 0.0 110.454 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 21.7 p -103.61 149.03 25.3 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.354 -0.841 . . . . 0.0 109.788 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 664' ' ' ALA . . . . . 1.01 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -49.84 127.45 16.22 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.133 -0.979 . . . . 0.0 110.284 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 99.37 18.14 24.69 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.72 -1.352 . . . . 0.0 109.72 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.34 -179.03 5.76 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.251 -1.146 . . . . 0.0 110.026 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 667' ' ' LEU . . . . . 0.638 HD23 ' C ' ' A' ' 667' ' ' LEU . 4.4 tt -151.1 116.32 5.33 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.188 -0.945 . . . . 0.0 110.242 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 668' ' ' VAL . . . . . 0.573 ' N ' HD23 ' A' ' 667' ' ' LEU . 4.4 m -116.68 163.97 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.245 -0.909 . . . . 0.0 110.1 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 62.6 p . . . . . 0 N--CA 1.491 1.614 0 O-C-N 121.173 -0.954 . . . . 0.0 110.318 179.901 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 674' ' ' THR . . . . . 0.486 ' O ' ' HA ' ' A' ' 698' ' ' LEU . 7.2 m . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 121.086 0.47 . . . . 0.0 110.028 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 675' ' ' TYR . . . . . 0.615 ' CE1' ' HB3' ' A' ' 698' ' ' LEU . 67.5 m-85 -136.99 158.55 44.2 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.373 -0.829 . . . . 0.0 110.54 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 697' ' ' GLN . 0.1 OUTLIER -133.86 105.27 6.68 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.511 -0.743 . . . . 0.0 110.099 -179.853 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 695' ' ' LEU . 0.1 OUTLIER -60.38 132.97 55.57 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.218 -0.926 . . . . 0.0 110.192 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.69 3.1 14.65 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.21 -0.931 . . . . 0.0 110.371 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 679' ' ' GLN . . . . . 0.548 ' HB3' ' CD2' ' A' ' 681' ' ' HIS . 9.4 mt-30 -148.35 138.82 13.12 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.128 -0.983 . . . . 0.0 110.434 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 680' ' ' PRO . . . . . 1.01 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 2.9 Cg_endo -62.32 99.36 0.2 Allowed 'Trans proline' 0 C--N 1.314 -1.26 0 O-C-N 123.498 1.262 . . . . 0.0 110.445 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 681' ' ' HIS . . . . . 0.548 ' CD2' ' HB3' ' A' ' 679' ' ' GLN . 29.8 m-70 -142.73 -179.66 6.46 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.162 -0.961 . . . . 0.0 110.212 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 78.4 m -115.24 129.39 56.62 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.246 -0.909 . . . . 0.0 110.307 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.25 146.86 28.33 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.223 -0.923 . . . . 0.0 110.199 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . 0.723 ' H ' HD23 ' A' ' 684' ' ' LEU . 1.2 pt? -154.81 -178.59 7.32 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.412 -0.805 . . . . 0.0 110.16 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -58.26 81.43 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.355 -0.84 . . . . 0.0 110.091 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 686' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 164.96 -45.31 0.29 Allowed Glycine 0 N--CA 1.488 2.131 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 45.9 m0 -86.57 30.48 0.72 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.084 -1.245 . . . . 0.0 110.312 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 688' ' ' GLU . . . . . 0.618 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.1 mt-10 -85.86 -47.68 0.57 Allowed Pre-proline 0 N--CA 1.496 1.83 0 O-C-N 121.137 -0.977 . . . . 0.0 110.254 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 689' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.6 Cg_endo -69.53 -3.97 12.93 Favored 'Trans proline' 0 C--N 1.315 -1.2 0 O-C-N 123.272 1.143 . . . . 0.0 110.386 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 690' ' ' SER . . . . . 0.509 ' CB ' ' CE1' ' A' ' 675' ' ' TYR . 1.2 p 71.06 59.41 0.18 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.29 -0.881 . . . . 0.0 109.757 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -80.18 1.11 29.54 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.218 -0.926 . . . . 0.0 111.179 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 692' ' ' VAL . . . . . 0.597 HG21 HD21 ' A' ' 695' ' ' LEU . 9.1 m -132.61 87.77 40.63 Favored Pre-proline 0 N--CA 1.494 1.729 0 O-C-N 121.011 -1.056 . . . . 0.0 110.231 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -59.5 -34.75 97.02 Favored 'Trans proline' 0 C--N 1.31 -1.45 0 O-C-N 123.79 1.416 . . . . 0.0 110.516 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -44.87 -26.8 0.45 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.19 -0.944 . . . . 0.0 109.893 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 695' ' ' LEU . . . . . 0.647 ' C ' HD12 ' A' ' 695' ' ' LEU . 4.6 pp -129.59 -1.3 4.9 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.365 -0.835 . . . . 0.0 110.125 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 696' ' ' TRP . . . . . 0.527 ' CD1' HD11 ' A' ' 695' ' ' LEU . 0.9 OUTLIER -119.45 98.24 6.04 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.222 -0.924 . . . . 0.0 110.045 179.552 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 697' ' ' GLN . . . . . 0.422 ' O ' ' HB2' ' A' ' 676' ' ' LYS . 24.2 tp60 -99.33 98.38 9.33 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.059 -1.026 . . . . 0.0 109.394 179.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . 1.024 HD12 ' N ' ' A' ' 699' ' ' GLN . 0.8 OUTLIER -91.33 175.4 6.94 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.228 -0.92 . . . . 0.0 111.281 -179.01 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 699' ' ' GLN . . . . . 1.024 ' N ' HD12 ' A' ' 698' ' ' LEU . 2.4 pt20 . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.641 -0.662 . . . . 0.0 110.208 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 656' ' ' TRP . . . . . . . . . . . . . 77.6 t90 . . . . . 0 N--CA 1.492 1.625 0 CA-C-O 121.215 0.531 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -123.54 135.43 54.01 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.262 -0.899 . . . . 0.0 110.18 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 658' ' ' VAL . . . . . . . . . . . . . 14.5 p -76.4 158.54 5.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.265 -0.897 . . . . 0.0 110.213 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 27.1 t30 53.84 57.59 5.89 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.285 -0.884 . . . . 0.0 110.136 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 660' ' ' THR . . . . . 0.746 ' O ' HG23 ' A' ' 682' ' ' THR . 62.2 m -138.05 169.35 17.95 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.305 -0.872 . . . . 0.0 110.38 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . 0.51 ' N ' HG22 ' A' ' 660' ' ' THR . . . -112.03 115.34 28.75 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.29 -0.881 . . . . 0.0 110.251 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 662' ' ' TYR . . . . . 0.475 ' HE2' ' HG ' ' A' ' 683' ' ' SER . 20.0 m-85 -109.26 155.14 21.49 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.272 -0.892 . . . . 0.0 110.065 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.64 -167.31 1.45 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.227 -0.92 . . . . 0.0 110.368 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 664' ' ' ALA . . . . . 0.852 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -90.32 63.74 5.78 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.244 -0.91 . . . . 0.0 110.518 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 665' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 155.89 36.79 0.02 OUTLIER Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.72 -1.352 . . . . 0.0 109.72 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 666' ' ' GLN . . . . . 0.481 ' HB2' ' CB ' ' A' ' 677' ' ' CYS . 1.0 OUTLIER -90.66 -177.18 4.94 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.175 -1.191 . . . . 0.0 110.361 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 48.6 mt -143.64 91.98 2.3 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.277 -0.889 . . . . 0.0 110.189 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 668' ' ' VAL . . . . . . . . . . . . . 2.8 m -100.55 168.7 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.297 -0.877 . . . . 0.0 110.224 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 24.0 p . . . . . 0 N--CA 1.489 1.508 0 O-C-N 121.134 -0.979 . . . . 0.0 109.901 179.589 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 674' ' ' THR . . . . . 0.491 ' O ' ' HB2' ' A' ' 698' ' ' LEU . 95.5 m . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.242 0.544 . . . . 0.0 110.362 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 675' ' ' TYR . . . . . 0.59 ' CE2' ' HB3' ' A' ' 698' ' ' LEU . 25.9 m-85 -130.28 160.52 33.65 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.275 -0.89 . . . . 0.0 110.529 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . 0.751 ' HE2' HD21 ' A' ' 678' ' ' LEU . 0.2 OUTLIER -140.44 131.9 26.93 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.334 -0.854 . . . . 0.0 109.76 179.352 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . 0.52 ' O ' ' N ' ' A' ' 665' ' ' GLY . 0.5 OUTLIER -75.76 136.75 40.29 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.22 -0.925 . . . . 0.0 110.141 -179.754 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.751 HD21 ' HE2' ' A' ' 676' ' ' LYS . 0.8 OUTLIER -117.33 -5.24 11.3 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.284 -0.885 . . . . 0.0 110.136 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 679' ' ' GLN . . . . . 0.515 ' HB3' ' CD2' ' A' ' 681' ' ' HIS . 4.0 tt0 -142.94 143.42 25.16 Favored Pre-proline 0 N--CA 1.492 1.671 0 O-C-N 121.239 -0.913 . . . . 0.0 110.162 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 680' ' ' PRO . . . . . 0.852 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 2.9 Cg_endo -61.79 101.36 0.22 Allowed 'Trans proline' 0 C--N 1.313 -1.29 0 O-C-N 123.5 1.263 . . . . 0.0 110.589 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 681' ' ' HIS . . . . . 0.563 ' HD2' HD22 ' A' ' 695' ' ' LEU . 11.3 m-70 -144.86 -169.3 3.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.189 -0.944 . . . . 0.0 110.26 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 682' ' ' THR . . . . . 0.746 HG23 ' O ' ' A' ' 660' ' ' THR . 33.9 m -131.07 127.05 37.42 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.319 -0.863 . . . . 0.0 110.207 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 683' ' ' SER . . . . . 0.475 ' HG ' ' HE2' ' A' ' 662' ' ' TYR . 28.9 m -71.74 146.72 47.95 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.248 -0.908 . . . . 0.0 110.235 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . 0.552 ' H ' HD23 ' A' ' 684' ' ' LEU . 1.1 pt? -150.24 173.96 13.36 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.166 -0.959 . . . . 0.0 110.38 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -63.69 72.16 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.231 -0.918 . . . . 0.0 110.308 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 686' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 177.36 -31.99 0.08 OUTLIER Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -88.64 39.34 0.91 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.22 -1.165 . . . . 0.0 110.379 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 688' ' ' GLU . . . . . 0.577 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.7 mt-10 -89.34 -49.0 0.4 Allowed Pre-proline 0 N--CA 1.493 1.713 0 O-C-N 121.161 -0.962 . . . . 0.0 110.523 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 689' ' ' PRO . . . . . 0.577 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.3 Cg_endo -71.32 -2.56 11.41 Favored 'Trans proline' 0 C--N 1.315 -1.231 0 O-C-N 123.16 1.084 . . . . 0.0 110.38 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 690' ' ' SER . . . . . 0.487 ' O ' ' OG ' ' A' ' 690' ' ' SER . 1.4 p 69.9 62.04 0.25 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.446 -0.784 . . . . 0.0 109.808 -179.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -79.41 1.83 23.98 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.21 -0.932 . . . . 0.0 110.735 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 692' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 692' ' ' VAL . 29.3 m -135.17 77.23 55.65 Favored Pre-proline 0 N--CA 1.494 1.729 0 O-C-N 121.14 -0.975 . . . . 0.0 110.032 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -59.78 -26.28 81.77 Favored 'Trans proline' 0 C--N 1.311 -1.406 0 O-C-N 123.691 1.364 . . . . 0.0 110.732 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -51.34 -25.28 5.74 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.186 -0.946 . . . . 0.0 110.034 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 695' ' ' LEU . . . . . 0.901 HD12 ' N ' ' A' ' 696' ' ' TRP . 4.0 pp -128.08 -16.93 4.45 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.298 -0.877 . . . . 0.0 110.643 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 696' ' ' TRP . . . . . 0.901 ' N ' HD12 ' A' ' 695' ' ' LEU . 0.3 OUTLIER -104.15 94.0 5.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.032 -1.043 . . . . 0.0 110.156 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 697' ' ' GLN . . . . . 0.481 ' HB3' ' HG2' ' A' ' 676' ' ' LYS . 2.4 tp60 -99.81 113.23 25.6 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.17 -0.956 . . . . 0.0 109.891 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . 0.758 HD12 ' N ' ' A' ' 699' ' ' GLN . 1.1 pp -104.32 -169.99 1.7 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.157 -0.965 . . . . 0.0 110.698 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 699' ' ' GLN . . . . . 0.758 ' N ' HD12 ' A' ' 698' ' ' LEU . 5.8 pt20 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.379 -0.825 . . . . 0.0 110.082 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 656' ' ' TRP . . . . . 0.447 ' CZ2' ' HB2' ' A' ' 683' ' ' SER . 73.6 t90 . . . . . 0 N--CA 1.492 1.659 0 CA-C-O 121.243 0.544 . . . . 0.0 110.23 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -137.67 133.23 34.01 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.22 -0.925 . . . . 0.0 110.233 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 658' ' ' VAL . . . . . 0.447 ' O ' ' HB2' ' A' ' 659' ' ' ASN . 17.5 m -60.64 154.3 4.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.246 -0.909 . . . . 0.0 110.301 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 659' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' A' ' 658' ' ' VAL . 12.1 m120 56.55 55.67 6.26 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.303 -0.873 . . . . 0.0 110.211 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 660' ' ' THR . . . . . 0.425 ' O ' ' OG ' ' A' ' 683' ' ' SER . 89.5 m -139.78 124.49 18.36 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.197 -0.939 . . . . 0.0 110.397 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -71.82 130.04 40.11 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.313 -0.867 . . . . 0.0 110.27 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 662' ' ' TYR . . . . . 0.436 ' CD2' ' OG ' ' A' ' 683' ' ' SER . 10.8 m-85 -122.23 166.07 15.2 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.194 -0.941 . . . . 0.0 109.881 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.82 -167.47 1.19 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.183 -0.948 . . . . 0.0 110.353 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 664' ' ' ALA . . . . . 0.849 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -86.91 127.92 35.06 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.335 -0.853 . . . . 0.0 110.409 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 81.46 38.46 14.55 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.792 -1.323 . . . . 0.0 109.792 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 666' ' ' GLN . . . . . 0.51 ' O ' ' HA ' ' A' ' 676' ' ' LYS . 0.0 OUTLIER -88.18 174.43 8.23 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.182 -1.187 . . . . 0.0 109.885 179.812 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -133.23 89.17 2.57 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.176 -0.952 . . . . 0.0 110.543 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 668' ' ' VAL . . . . . . . . . . . . . 3.0 m -100.01 167.92 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.178 -0.951 . . . . 0.0 109.696 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.492 1.645 0 O-C-N 121.087 -1.008 . . . . 0.0 110.194 179.761 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 674' ' ' THR . . . . . . . . . . . . . 2.8 m . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 675' ' ' TYR . . . . . 0.6 ' CE2' ' HB3' ' A' ' 698' ' ' LEU . 19.1 m-85 -130.05 157.74 41.53 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.987 -1.071 . . . . 0.0 111.214 -179.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . 0.51 ' HA ' ' O ' ' A' ' 666' ' ' GLN . 0.0 OUTLIER -140.9 126.69 19.16 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.527 -0.733 . . . . 0.0 109.417 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.77 160.51 28.34 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.144 -0.973 . . . . 0.0 110.359 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.59 ' O ' ' HB1' ' A' ' 664' ' ' ALA . 0.9 OUTLIER -124.29 -28.84 3.62 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.24 -0.912 . . . . 0.0 110.692 -179.876 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 679' ' ' GLN . . . . . 0.546 ' HB3' ' NE2' ' A' ' 681' ' ' HIS . 42.8 mm-40 -126.74 146.44 57.12 Favored Pre-proline 0 N--CA 1.493 1.715 0 O-C-N 121.153 -0.967 . . . . 0.0 110.557 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 680' ' ' PRO . . . . . 0.849 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.0 Cg_exo -62.94 116.0 3.29 Favored 'Trans proline' 0 C--N 1.314 -1.263 0 O-C-N 123.632 1.333 . . . . 0.0 110.89 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 681' ' ' HIS . . . . . 0.546 ' NE2' ' HB3' ' A' ' 679' ' ' GLN . 89.2 m-70 -155.42 -156.58 0.66 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.232 -0.917 . . . . 0.0 110.258 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 682' ' ' THR . . . . . 0.571 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 20.6 m -131.4 127.84 38.34 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.22 -0.925 . . . . 0.0 110.299 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 683' ' ' SER . . . . . 0.447 ' HB2' ' CZ2' ' A' ' 656' ' ' TRP . 0.0 OUTLIER -85.24 138.93 32.02 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.32 -0.863 . . . . 0.0 109.762 179.63 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . 0.589 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.7 OUTLIER -141.77 -178.25 5.58 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.321 -0.862 . . . . 0.0 110.693 -179.716 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -64.4 74.91 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.362 -0.836 . . . . 0.0 110.229 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 686' ' ' GLY . . . . . 0.478 ' O ' ' HD2' ' A' ' 689' ' ' PRO . . . 174.72 -32.46 0.1 OUTLIER Glycine 0 N--CA 1.487 2.099 0 N-CA-C 109.44 -1.464 . . . . 0.0 109.44 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 687' ' ' TRP . . . . . 0.571 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 40.7 m0 -85.68 30.89 0.62 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.241 -1.152 . . . . 0.0 110.399 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 688' ' ' GLU . . . . . 0.603 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 2.6 mt-10 -87.38 -47.01 0.49 Allowed Pre-proline 0 N--CA 1.494 1.74 0 O-C-N 120.965 -1.085 . . . . 0.0 110.642 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 689' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.6 Cg_endo -70.65 -0.82 8.24 Favored 'Trans proline' 0 C--N 1.315 -1.215 0 O-C-N 123.173 1.091 . . . . 0.0 110.515 179.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 690' ' ' SER . . . . . 0.471 ' O ' ' OG ' ' A' ' 690' ' ' SER . 2.3 p 61.68 56.62 2.43 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.229 -0.919 . . . . 0.0 109.74 -179.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 691' ' ' ASN . . . . . 0.406 ' OD1' ' HB2' ' A' ' 689' ' ' PRO . 6.7 m-20 -79.72 4.05 17.45 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.22 -0.925 . . . . 0.0 110.501 -179.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 692' ' ' VAL . . . . . 0.72 HG23 HD11 ' A' ' 695' ' ' LEU . 18.2 m -138.06 82.53 24.7 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.066 -1.021 . . . . 0.0 110.47 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -60.89 -17.39 50.69 Favored 'Trans proline' 0 C--N 1.312 -1.375 0 O-C-N 123.628 1.331 . . . . 0.0 110.386 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -52.81 -35.95 57.76 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.265 -0.897 . . . . 0.0 109.931 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 695' ' ' LEU . . . . . 0.892 HD12 ' N ' ' A' ' 696' ' ' TRP . 1.3 pp -127.44 -4.49 6.03 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.307 -0.871 . . . . 0.0 110.057 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 696' ' ' TRP . . . . . 0.892 ' N ' HD12 ' A' ' 695' ' ' LEU . 1.1 m95 -116.44 89.63 3.15 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.19 -0.944 . . . . 0.0 110.358 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 697' ' ' GLN . . . . . 0.501 ' HB3' ' CD ' ' A' ' 676' ' ' LYS . 0.9 OUTLIER -99.17 113.21 25.34 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.153 -0.967 . . . . 0.0 109.422 179.61 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . 0.6 ' HB3' ' CE2' ' A' ' 675' ' ' TYR . 0.6 OUTLIER -91.5 177.54 6.2 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.24 -0.912 . . . . 0.0 110.852 -179.258 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 699' ' ' GLN . . . . . 0.487 ' HG2' ' O ' ' A' ' 698' ' ' LEU . 30.5 mt-30 . . . . . 0 N--CA 1.492 1.625 0 O-C-N 121.551 -0.718 . . . . 0.0 110.214 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 656' ' ' TRP . . . . . 0.459 ' CZ2' ' HA ' ' A' ' 658' ' ' VAL . 56.6 t90 . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.201 0.525 . . . . 0.0 110.051 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -127.3 139.52 52.83 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.267 -0.896 . . . . 0.0 110.109 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 658' ' ' VAL . . . . . 0.459 ' HA ' ' CZ2' ' A' ' 656' ' ' TRP . 13.9 p -77.92 158.76 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.143 -0.973 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 50.68 56.07 8.54 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.27 -0.894 . . . . 0.0 109.998 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 660' ' ' THR . . . . . 0.416 HG22 ' N ' ' A' ' 661' ' ' ALA . 50.7 m -135.72 164.24 28.33 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.219 -0.925 . . . . 0.0 110.425 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . 0.416 ' N ' HG22 ' A' ' 660' ' ' THR . . . -106.12 115.52 30.37 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.302 -0.874 . . . . 0.0 110.086 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -111.68 154.18 25.33 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.175 -0.953 . . . . 0.0 110.368 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 1.3 p -102.13 178.69 4.53 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.283 -0.886 . . . . 0.0 109.996 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 664' ' ' ALA . . . . . 0.985 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -77.07 125.65 29.67 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.16 -0.962 . . . . 0.0 110.166 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 665' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 93.53 30.01 9.53 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 666' ' ' GLN . . . . . 0.548 ' CB ' ' HB2' ' A' ' 677' ' ' CYS . 0.9 OUTLIER -90.2 174.54 7.56 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.321 -1.106 . . . . 0.0 110.143 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 667' ' ' LEU . . . . . 0.445 HD23 ' C ' ' A' ' 667' ' ' LEU . 2.5 tt -132.74 102.96 5.87 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.267 -0.896 . . . . 0.0 110.286 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 668' ' ' VAL . . . . . 0.454 ' HB ' ' HB2' ' A' ' 656' ' ' TRP . 2.9 m -111.31 171.71 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.252 -0.905 . . . . 0.0 109.973 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.493 1.675 0 O-C-N 121.135 -0.978 . . . . 0.0 109.877 179.668 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 674' ' ' THR . . . . . 0.76 ' O ' HD12 ' A' ' 698' ' ' LEU . 52.2 m . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.343 0.592 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 675' ' ' TYR . . . . . 0.882 ' CZ ' HD13 ' A' ' 698' ' ' LEU . 28.6 m-85 -124.22 167.15 14.68 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.288 -0.882 . . . . 0.0 110.224 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 697' ' ' GLN . 1.7 mptt -140.08 124.73 18.18 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.26 -0.9 . . . . 0.0 110.064 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . 0.548 ' HB2' ' CB ' ' A' ' 666' ' ' GLN . 0.1 OUTLIER -67.18 142.46 57.0 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.255 -0.903 . . . . 0.0 110.341 -179.765 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.702 ' O ' HD23 ' A' ' 678' ' ' LEU . 2.1 tt -116.21 -23.45 8.41 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.264 -0.897 . . . . 0.0 110.268 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 679' ' ' GLN . . . . . 0.457 ' HA ' ' HD3' ' A' ' 680' ' ' PRO . 19.4 mt-30 -132.16 142.09 43.79 Favored Pre-proline 0 N--CA 1.492 1.636 0 O-C-N 121.189 -0.944 . . . . 0.0 110.423 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 680' ' ' PRO . . . . . 0.985 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 2.8 Cg_endo -64.36 104.15 0.5 Allowed 'Trans proline' 0 C--N 1.313 -1.308 0 O-C-N 123.57 1.3 . . . . 0.0 110.463 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 681' ' ' HIS . . . . . 0.512 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 19.1 m-70 -149.38 -163.17 1.72 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.31 -0.869 . . . . 0.0 110.301 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 98.5 m -119.02 135.22 54.74 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.22 -0.925 . . . . 0.0 110.586 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 5.9 p -87.51 139.03 30.96 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.243 -0.911 . . . . 0.0 109.582 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . 0.79 ' H ' HD23 ' A' ' 684' ' ' LEU . 1.8 pt? -147.74 172.06 14.69 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.19 -0.944 . . . . 0.0 111.001 -179.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -60.51 77.38 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.504 -0.747 . . . . 0.0 109.973 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 686' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 175.55 -43.44 0.12 Allowed Glycine 0 N--CA 1.487 2.074 0 N-CA-C 108.424 -1.87 . . . . 0.0 108.424 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 44.7 m0 -87.97 32.58 0.74 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.35 -1.088 . . . . 0.0 109.918 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 688' ' ' GLU . . . . . 0.616 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.6 mt-10 -88.56 -46.38 0.45 Allowed Pre-proline 0 N--CA 1.495 1.803 0 O-C-N 121.38 -0.825 . . . . 0.0 111.041 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 689' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.9 Cg_endo -68.1 -6.31 16.88 Favored 'Trans proline' 0 C--N 1.315 -1.204 0 O-C-N 123.239 1.126 . . . . 0.0 110.242 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 690' ' ' SER . . . . . 0.574 ' CB ' ' CE1' ' A' ' 675' ' ' TYR . 1.2 p 67.03 41.39 2.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.392 -0.818 . . . . 0.0 110.044 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 691' ' ' ASN . . . . . 0.844 ' OD1' HG13 ' A' ' 692' ' ' VAL . 19.0 p30 -79.7 4.95 14.64 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.224 -0.923 . . . . 0.0 110.166 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 692' ' ' VAL . . . . . 0.844 HG13 ' OD1' ' A' ' 691' ' ' ASN . 16.8 m -125.18 78.88 66.6 Favored Pre-proline 0 N--CA 1.491 1.625 0 O-C-N 121.229 -0.92 . . . . 0.0 110.275 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -60.41 -16.4 41.43 Favored 'Trans proline' 0 C--N 1.311 -1.429 0 O-C-N 123.616 1.324 . . . . 0.0 110.554 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -56.46 -35.56 68.05 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.207 -0.933 . . . . 0.0 110.279 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 695' ' ' LEU . . . . . 1.059 ' O ' HD22 ' A' ' 695' ' ' LEU . 0.0 OUTLIER -122.38 -10.9 8.41 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.291 -0.881 . . . . 0.0 110.318 -179.727 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 696' ' ' TRP . . . . . 1.044 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.2 OUTLIER -99.48 145.9 26.95 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.136 -0.977 . . . . 0.0 110.44 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 697' ' ' GLN . . . . . 0.481 ' O ' ' HB2' ' A' ' 676' ' ' LYS . 8.8 tt0 -134.48 82.2 1.95 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.414 -0.804 . . . . 0.0 109.718 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . 0.882 HD13 ' CZ ' ' A' ' 675' ' ' TYR . 35.2 tp -58.24 152.67 16.74 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.29 -0.881 . . . . 0.0 110.483 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 699' ' ' GLN . . . . . 0.456 ' HG3' ' HD3' ' A' ' 676' ' ' LYS . 11.6 mm100 . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.339 -0.851 . . . . 0.0 110.192 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 656' ' ' TRP . . . . . 0.474 ' NE1' ' OG ' ' A' ' 683' ' ' SER . 51.9 t90 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.25 0.548 . . . . 0.0 110.237 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 657' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 658' ' ' VAL . 45.5 mt-30 -146.88 101.28 3.42 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.29 -0.881 . . . . 0.0 110.205 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 658' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 657' ' ' GLN . 2.7 p -43.17 148.27 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.109 -0.995 . . . . 0.0 110.18 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 2.9 t30 61.65 59.73 1.76 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.215 -0.928 . . . . 0.0 109.876 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 660' ' ' THR . . . . . 0.624 ' O ' HG23 ' A' ' 682' ' ' THR . 3.2 m -139.01 159.54 41.9 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.115 -0.991 . . . . 0.0 110.447 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -101.22 103.4 14.42 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.349 -0.844 . . . . 0.0 109.91 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -99.79 140.99 33.19 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.224 -0.922 . . . . 0.0 110.282 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 663' ' ' THR . . . . . 0.472 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 31.4 p -102.11 158.65 16.01 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.289 -0.882 . . . . 0.0 109.931 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 664' ' ' ALA . . . . . 0.914 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -49.64 140.3 11.31 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.212 -0.93 . . . . 0.0 110.384 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 665' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 73.4 30.59 62.24 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.774 -1.331 . . . . 0.0 109.774 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 666' ' ' GLN . . . . . 0.548 ' HB2' ' CB ' ' A' ' 677' ' ' CYS . 0.4 OUTLIER -84.45 -175.41 5.77 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.214 -1.168 . . . . 0.0 110.112 179.768 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 667' ' ' LEU . . . . . 0.495 ' HA ' HD23 ' A' ' 667' ' ' LEU . 7.3 mt -147.87 109.05 4.28 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.119 -0.988 . . . . 0.0 110.497 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 668' ' ' VAL . . . . . . . . . . . . . 3.0 m -120.69 163.27 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.273 -0.892 . . . . 0.0 109.856 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 30.9 p . . . . . 0 N--CA 1.493 1.697 0 O-C-N 120.981 -1.074 . . . . 0.0 110.123 179.676 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 674' ' ' THR . . . . . 0.437 ' HB ' ' CG ' ' A' ' 699' ' ' GLN . 1.1 m . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 121.235 0.54 . . . . 0.0 109.827 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 675' ' ' TYR . . . . . 0.63 ' CE1' ' CB ' ' A' ' 690' ' ' SER . 22.8 m-85 -130.86 151.15 51.59 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.208 -0.933 . . . . 0.0 110.776 -179.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 697' ' ' GLN . 0.0 OUTLIER -132.41 134.3 44.96 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.467 -0.771 . . . . 0.0 109.515 179.495 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . 0.548 ' CB ' ' HB2' ' A' ' 666' ' ' GLN . 0.1 OUTLIER -85.39 148.34 26.06 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.25 -0.907 . . . . 0.0 110.271 -179.627 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.31 -18.92 9.13 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.278 -0.888 . . . . 0.0 110.189 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -131.6 145.83 59.28 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.209 -0.932 . . . . 0.0 110.247 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 680' ' ' PRO . . . . . 0.914 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 2.9 Cg_endo -61.58 94.68 0.12 Allowed 'Trans proline' 0 C--N 1.311 -1.423 0 O-C-N 123.641 1.338 . . . . 0.0 110.412 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 681' ' ' HIS . . . . . . . . . . . . . 18.2 m80 -136.3 164.29 28.43 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.241 -0.912 . . . . 0.0 110.179 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 682' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 660' ' ' THR . 22.6 m -103.79 125.34 50.17 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.311 -0.868 . . . . 0.0 110.364 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 683' ' ' SER . . . . . 0.474 ' OG ' ' NE1' ' A' ' 656' ' ' TRP . 12.0 t -68.93 141.29 55.04 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.33 -0.856 . . . . 0.0 110.002 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . 0.646 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.6 OUTLIER -152.7 179.38 8.67 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.174 -0.954 . . . . 0.0 110.757 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -60.24 84.7 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.416 -0.803 . . . . 0.0 110.039 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 686' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 163.09 -39.92 0.34 Allowed Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 687' ' ' TRP . . . . . 0.428 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 51.5 m0 -88.91 37.87 0.86 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.174 -1.192 . . . . 0.0 110.058 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 688' ' ' GLU . . . . . 0.581 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.4 mt-10 -89.35 -49.0 0.4 Allowed Pre-proline 0 N--CA 1.493 1.71 0 O-C-N 121.322 -0.861 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 689' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.4 Cg_endo -71.81 -2.63 11.75 Favored 'Trans proline' 0 C--N 1.316 -1.177 0 O-C-N 123.231 1.121 . . . . 0.0 110.036 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 690' ' ' SER . . . . . 0.63 ' CB ' ' CE1' ' A' ' 675' ' ' TYR . 4.7 p 58.07 56.89 4.33 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.351 -0.843 . . . . 0.0 109.474 -179.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -89.38 24.05 2.35 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.471 -0.768 . . . . 0.0 110.844 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 692' ' ' VAL . . . . . 0.436 HG23 ' HD1' ' A' ' 696' ' ' TRP . 2.1 m -139.93 88.58 11.85 Favored Pre-proline 0 N--CA 1.492 1.634 0 O-C-N 121.143 -0.973 . . . . 0.0 110.163 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -61.81 -11.16 19.65 Favored 'Trans proline' 0 C--N 1.314 -1.249 0 O-C-N 123.795 1.418 . . . . 0.0 110.75 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -62.84 -33.29 74.93 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.226 -0.921 . . . . 0.0 110.476 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 695' ' ' LEU . . . . . 0.736 ' C ' HD12 ' A' ' 695' ' ' LEU . 3.5 pp -140.21 10.33 2.33 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.028 -1.045 . . . . 0.0 110.925 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 696' ' ' TRP . . . . . 0.545 ' CD1' ' CD1' ' A' ' 695' ' ' LEU . 0.4 OUTLIER -130.39 88.85 2.69 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.935 -1.103 . . . . 0.0 110.936 -179.736 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 697' ' ' GLN . . . . . 0.451 ' O ' ' HG2' ' A' ' 676' ' ' LYS . 2.0 tp-100 -99.83 115.29 29.24 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.199 -0.938 . . . . 0.0 109.385 179.144 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . 0.785 HD12 ' N ' ' A' ' 699' ' ' GLN . 0.9 OUTLIER -89.82 -175.16 4.54 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.075 -1.016 . . . . 0.0 110.91 -179.189 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 699' ' ' GLN . . . . . 0.785 ' N ' HD12 ' A' ' 698' ' ' LEU . 1.9 pt20 . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.555 -0.715 . . . . 0.0 110.07 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 656' ' ' TRP . . . . . 0.796 ' CH2' HG12 ' A' ' 658' ' ' VAL . 57.9 t90 . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.241 0.543 . . . . 0.0 110.143 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 657' ' ' GLN . . . . . 0.436 ' HG2' ' C ' ' A' ' 656' ' ' TRP . 1.9 mt-30 -127.06 131.32 50.94 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.178 -0.951 . . . . 0.0 110.299 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 658' ' ' VAL . . . . . 0.796 HG12 ' CH2' ' A' ' 656' ' ' TRP . 5.7 m -69.59 166.97 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.232 -0.917 . . . . 0.0 109.952 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 49.22 50.58 17.78 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.132 -0.98 . . . . 0.0 109.75 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 660' ' ' THR . . . . . 0.746 ' O ' HG23 ' A' ' 682' ' ' THR . 55.2 m -133.57 168.44 18.65 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.189 -0.944 . . . . 0.0 110.413 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . 0.536 ' N ' HG22 ' A' ' 660' ' ' THR . . . -117.24 106.32 13.17 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.282 -0.886 . . . . 0.0 110.018 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -101.13 155.72 17.84 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.228 -0.92 . . . . 0.0 110.319 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 663' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 62.5 p -100.8 -173.21 2.33 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.232 -0.918 . . . . 0.0 110.297 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 664' ' ' ALA . . . . . 0.887 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -81.36 124.95 29.81 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.296 -0.878 . . . . 0.0 110.172 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 89.92 27.8 20.33 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 666' ' ' GLN . . . . . 0.436 ' HB2' ' HB3' ' A' ' 677' ' ' CYS . 1.1 tm0? -87.93 172.2 9.76 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.163 -1.198 . . . . 0.0 110.05 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 667' ' ' LEU . . . . . 0.625 HD11 ' HE3' ' A' ' 676' ' ' LYS . 0.3 OUTLIER -130.65 127.85 39.77 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.095 -1.003 . . . . 0.0 110.445 -179.828 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 668' ' ' VAL . . . . . 0.537 ' CG2' ' HB2' ' A' ' 675' ' ' TYR . 3.0 m -135.25 171.11 18.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.435 -0.791 . . . . 0.0 109.955 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 17.4 p . . . . . 0 N--CA 1.49 1.545 0 O-C-N 121.197 -0.94 . . . . 0.0 110.157 179.708 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 674' ' ' THR . . . . . 0.617 ' O ' HD12 ' A' ' 698' ' ' LEU . 1.6 m . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.349 0.595 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 675' ' ' TYR . . . . . 0.621 ' CZ ' HD13 ' A' ' 698' ' ' LEU . 20.4 m-85 -131.01 167.57 18.83 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.227 -0.921 . . . . 0.0 110.007 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . 0.625 ' HE3' HD11 ' A' ' 667' ' ' LEU . 3.0 mptt -138.63 101.04 4.24 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.177 -0.952 . . . . 0.0 110.604 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . 0.436 ' HB3' ' HB2' ' A' ' 666' ' ' GLN . 0.1 OUTLIER -54.89 146.91 16.33 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.187 -0.946 . . . . 0.0 109.89 179.711 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -127.98 -5.36 5.62 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.234 -0.916 . . . . 0.0 110.521 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 679' ' ' GLN . . . . . 0.421 ' HB2' ' HB2' ' A' ' 695' ' ' LEU . 2.0 tt0 -144.01 143.8 24.11 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.108 -0.995 . . . . 0.0 110.371 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 680' ' ' PRO . . . . . 0.887 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 2.9 Cg_endo -63.68 94.1 0.18 Allowed 'Trans proline' 0 C--N 1.315 -1.237 0 O-C-N 123.558 1.294 . . . . 0.0 110.82 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 681' ' ' HIS . . . . . 0.501 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 4.7 m-70 -138.61 179.76 6.28 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.227 -0.921 . . . . 0.0 109.792 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 682' ' ' THR . . . . . 0.746 HG23 ' O ' ' A' ' 660' ' ' THR . 49.4 m -117.36 131.71 56.73 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.175 -0.953 . . . . 0.0 110.452 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.63 148.77 27.78 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.297 -0.877 . . . . 0.0 109.88 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . 0.603 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.6 OUTLIER -147.91 -176.24 5.2 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.269 -0.894 . . . . 0.0 110.496 -179.881 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -67.3 81.8 0.14 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.294 -0.879 . . . . 0.0 110.13 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 686' ' ' GLY . . . . . 0.431 ' O ' ' HD2' ' A' ' 689' ' ' PRO . . . 162.13 -29.43 0.28 Allowed Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.743 -1.343 . . . . 0.0 109.743 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 28.5 m0 -86.7 32.79 0.65 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.148 -1.207 . . . . 0.0 110.373 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 688' ' ' GLU . . . . . 0.596 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.4 mt-10 -88.92 -47.01 0.43 Allowed Pre-proline 0 N--CA 1.496 1.837 0 O-C-N 121.182 -0.949 . . . . 0.0 111.109 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 689' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.8 Cg_endo -68.76 -3.9 12.2 Favored 'Trans proline' 0 C--N 1.313 -1.309 0 O-C-N 123.186 1.098 . . . . 0.0 110.683 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 690' ' ' SER . . . . . 0.505 ' O ' ' OG ' ' A' ' 690' ' ' SER . 1.3 p 69.34 57.28 0.36 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.414 -0.804 . . . . 0.0 110.171 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 691' ' ' ASN . . . . . 0.442 ' C ' ' HD3' ' A' ' 693' ' ' PRO . 48.7 m-20 -79.42 -14.29 59.03 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.977 -1.077 . . . . 0.0 110.428 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 692' ' ' VAL . . . . . 0.547 HG23 ' CD1' ' A' ' 695' ' ' LEU . 19.7 m -116.27 76.76 7.0 Favored Pre-proline 0 N--CA 1.492 1.657 0 O-C-N 121.302 -0.874 . . . . 0.0 110.07 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 693' ' ' PRO . . . . . 0.442 ' HD3' ' C ' ' A' ' 691' ' ' ASN . 3.1 Cg_exo -58.69 -21.16 54.48 Favored 'Trans proline' 0 C--N 1.309 -1.51 0 O-C-N 123.618 1.325 . . . . 0.0 110.345 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -51.54 -44.3 62.6 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.19 -0.944 . . . . 0.0 110.029 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 695' ' ' LEU . . . . . 1.079 HD13 ' N ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -109.5 -12.39 14.7 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.198 -0.939 . . . . 0.0 109.995 179.854 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 696' ' ' TRP . . . . . 1.079 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.6 OUTLIER -99.33 108.25 20.73 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.093 -1.004 . . . . 0.0 109.824 179.505 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 697' ' ' GLN . . . . . 0.496 ' O ' ' HB2' ' A' ' 676' ' ' LYS . 4.8 tp60 -102.54 84.29 2.41 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.213 -0.929 . . . . 0.0 110.317 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . 0.621 HD13 ' CZ ' ' A' ' 675' ' ' TYR . 16.3 tp -58.0 151.81 17.74 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.214 -0.929 . . . . 0.0 110.097 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 699' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.258 -0.901 . . . . 0.0 110.251 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 656' ' ' TRP . . . . . 0.876 ' CZ3' HG22 ' A' ' 658' ' ' VAL . 84.1 t90 . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.184 0.516 . . . . 0.0 110.317 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -103.82 123.11 46.5 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.26 -0.9 . . . . 0.0 110.079 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 658' ' ' VAL . . . . . 0.876 HG22 ' CZ3' ' A' ' 656' ' ' TRP . 57.4 t -57.9 146.34 7.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.184 -0.947 . . . . 0.0 110.197 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 7.7 t30 61.16 49.84 5.31 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.199 -0.938 . . . . 0.0 110.117 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 34.9 m -135.23 131.82 37.1 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.357 -0.839 . . . . 0.0 110.228 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -69.13 141.49 54.63 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.146 -0.971 . . . . 0.0 110.244 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -136.73 160.35 39.12 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.378 -0.826 . . . . 0.0 110.004 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 663' ' ' THR . . . . . 0.473 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 1.6 p -110.08 -177.61 3.3 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.174 -0.954 . . . . 0.0 110.076 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 664' ' ' ALA . . . . . 1.068 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -79.43 159.12 27.16 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.183 -0.948 . . . . 0.0 110.229 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 665' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 61.03 20.45 57.95 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.617 -1.393 . . . . 0.0 109.617 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 666' ' ' GLN . . . . . 0.48 ' HA ' ' OE1' ' A' ' 666' ' ' GLN . 0.0 OUTLIER -81.75 177.94 8.6 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.185 -1.185 . . . . 0.0 110.142 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 667' ' ' LEU . . . . . 0.555 HD23 ' C ' ' A' ' 667' ' ' LEU . 4.6 tt -142.76 104.29 4.33 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.105 -0.997 . . . . 0.0 110.333 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 668' ' ' VAL . . . . . . . . . . . . . 3.0 m -110.02 170.84 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.285 -0.885 . . . . 0.0 109.855 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 3.2 p . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.046 -1.034 . . . . 0.0 110.276 179.85 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 674' ' ' THR . . . . . . . . . . . . . 14.9 m . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 675' ' ' TYR . . . . . 0.546 ' HA ' ' HA ' ' A' ' 698' ' ' LEU . 14.3 m-85 -132.83 158.1 43.35 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.131 -0.981 . . . . 0.0 111.157 -179.399 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.42 114.72 11.66 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.478 -0.764 . . . . 0.0 109.948 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . 0.455 ' HB2' ' HB3' ' A' ' 666' ' ' GLN . 0.1 OUTLIER -65.34 136.57 56.71 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.266 -0.896 . . . . 0.0 110.288 -179.765 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.702 HD23 ' HG3' ' A' ' 679' ' ' GLN . 0.6 OUTLIER -109.21 -14.25 14.52 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.223 -0.923 . . . . 0.0 110.153 179.801 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 679' ' ' GLN . . . . . 0.702 ' HG3' HD23 ' A' ' 678' ' ' LEU . 4.2 mt-30 -143.09 143.42 24.75 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.293 -0.879 . . . . 0.0 110.299 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 680' ' ' PRO . . . . . 1.068 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.0 Cg_endo -62.14 107.54 0.57 Allowed 'Trans proline' 0 C--N 1.312 -1.38 0 O-C-N 123.696 1.366 . . . . 0.0 110.724 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 681' ' ' HIS . . . . . 0.51 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 25.7 m-70 -143.99 -161.46 1.28 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.341 -0.85 . . . . 0.0 110.064 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 24.4 m -132.81 124.74 28.58 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.193 -0.942 . . . . 0.0 110.505 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 69.2 p -75.83 143.91 41.59 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.366 -0.834 . . . . 0.0 110.14 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . 0.614 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.8 OUTLIER -146.44 176.44 9.8 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.211 -0.93 . . . . 0.0 110.649 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -63.83 74.15 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.312 -0.867 . . . . 0.0 110.244 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 686' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 173.65 -29.17 0.09 OUTLIER Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 25.8 m0 -85.65 31.54 0.6 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.201 -1.176 . . . . 0.0 110.37 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 688' ' ' GLU . . . . . 0.606 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 2.3 mt-10 -87.64 -47.8 0.47 Allowed Pre-proline 0 N--CA 1.495 1.791 0 O-C-N 121.137 -0.977 . . . . 0.0 110.372 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 689' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.7 Cg_endo -70.91 -3.44 12.78 Favored 'Trans proline' 0 C--N 1.313 -1.291 0 O-C-N 123.316 1.166 . . . . 0.0 110.058 179.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 690' ' ' SER . . . . . 0.468 ' O ' ' OG ' ' A' ' 690' ' ' SER . 3.8 p 62.14 57.13 2.09 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.512 -0.743 . . . . 0.0 110.139 -179.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 691' ' ' ASN . . . . . 0.452 ' C ' ' HD3' ' A' ' 693' ' ' PRO . 6.6 m-20 -79.41 -6.17 56.26 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.262 -0.899 . . . . 0.0 109.671 179.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 692' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 692' ' ' VAL . 27.3 m -122.26 70.81 33.43 Favored Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.37 -0.831 . . . . 0.0 110.177 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 693' ' ' PRO . . . . . 0.452 ' HD3' ' C ' ' A' ' 691' ' ' ASN . 3.1 Cg_exo -59.02 -19.76 50.11 Favored 'Trans proline' 0 C--N 1.31 -1.459 0 O-C-N 123.649 1.341 . . . . 0.0 110.616 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -52.17 -39.66 60.36 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.237 -0.914 . . . . 0.0 110.104 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 695' ' ' LEU . . . . . 1.047 ' O ' HD22 ' A' ' 695' ' ' LEU . 0.0 OUTLIER -115.17 -10.92 12.09 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.326 -0.859 . . . . 0.0 110.268 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 696' ' ' TRP . . . . . 1.027 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.6 OUTLIER -105.13 95.87 6.14 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.188 -0.945 . . . . 0.0 110.105 179.294 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -99.76 102.31 13.72 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.104 -0.998 . . . . 0.0 109.906 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . 0.765 HD12 ' N ' ' A' ' 699' ' ' GLN . 1.0 OUTLIER -97.15 -172.25 2.39 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.191 -0.943 . . . . 0.0 110.745 -179.642 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 699' ' ' GLN . . . . . 0.765 ' N ' HD12 ' A' ' 698' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.445 -0.784 . . . . 0.0 110.131 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 656' ' ' TRP . . . . . 0.547 ' CZ2' ' HA ' ' A' ' 658' ' ' VAL . 36.3 t90 . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.26 0.552 . . . . 0.0 110.111 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -118.24 108.9 15.7 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.195 -0.941 . . . . 0.0 110.251 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 658' ' ' VAL . . . . . 0.547 ' HA ' ' CZ2' ' A' ' 656' ' ' TRP . 2.2 p -53.76 147.93 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.142 -0.974 . . . . 0.0 110.061 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 659' ' ' ASN . . . . . 0.423 ' HA ' ' O ' ' A' ' 683' ' ' SER . 4.4 m-20 57.78 56.5 4.76 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.252 -0.905 . . . . 0.0 110.123 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 99.1 m -138.71 144.08 39.39 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.252 -0.905 . . . . 0.0 110.21 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -87.79 122.44 31.45 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.112 -0.993 . . . . 0.0 110.207 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 662' ' ' TYR . . . . . 0.516 ' O ' ' HA ' ' A' ' 680' ' ' PRO . 19.4 m-85 -114.79 157.49 23.17 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.134 -0.979 . . . . 0.0 110.326 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 663' ' ' THR . . . . . 0.428 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 16.3 p -100.7 -167.11 1.39 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.306 -0.871 . . . . 0.0 110.062 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 664' ' ' ALA . . . . . 0.868 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -90.11 108.34 19.67 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.223 -0.923 . . . . 0.0 110.084 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 110.9 30.62 3.16 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 666' ' ' GLN . . . . . 0.566 ' HB2' ' CB ' ' A' ' 677' ' ' CYS . 4.0 mm-40 -90.4 168.38 11.91 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.316 -1.108 . . . . 0.0 109.826 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -130.73 105.13 7.59 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.136 -0.978 . . . . 0.0 110.541 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 668' ' ' VAL . . . . . . . . . . . . . 2.3 m -113.65 173.04 3.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.351 -0.843 . . . . 0.0 109.67 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 18.3 p . . . . . 0 N--CA 1.494 1.728 0 O-C-N 121.026 -1.046 . . . . 0.0 110.777 179.948 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 674' ' ' THR . . . . . 0.584 ' O ' HD12 ' A' ' 698' ' ' LEU . 22.9 m . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.203 0.525 . . . . 0.0 109.642 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 675' ' ' TYR . . . . . 0.857 ' CZ ' HD13 ' A' ' 698' ' ' LEU . 39.9 m-85 -115.38 157.27 24.13 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.145 -0.972 . . . . 0.0 110.461 -179.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 697' ' ' GLN . 0.7 OUTLIER -124.54 92.7 3.71 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.305 -0.872 . . . . 0.0 109.909 179.797 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . 0.566 ' CB ' ' HB2' ' A' ' 666' ' ' GLN . 0.0 OUTLIER -47.99 143.46 4.26 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.145 -0.972 . . . . 0.0 109.87 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.491 HD12 ' NE2' ' A' ' 697' ' ' GLN . 6.9 tt -127.91 -4.95 5.69 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.298 -0.876 . . . . 0.0 110.61 -179.326 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 679' ' ' GLN . . . . . 0.451 ' HB2' ' HB2' ' A' ' 695' ' ' LEU . 0.7 OUTLIER -140.55 140.05 21.7 Favored Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.055 -1.028 . . . . 0.0 110.34 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 680' ' ' PRO . . . . . 0.868 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 2.9 Cg_endo -63.38 94.22 0.17 Allowed 'Trans proline' 0 C--N 1.313 -1.341 0 O-C-N 123.513 1.27 . . . . 0.0 110.355 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 681' ' ' HIS . . . . . 0.442 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 0.4 OUTLIER -135.72 -174.01 3.53 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.163 -0.961 . . . . 0.0 110.29 -179.802 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 682' ' ' THR . . . . . 0.471 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 53.4 m -120.77 124.66 45.65 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.241 -0.912 . . . . 0.0 110.248 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 683' ' ' SER . . . . . 0.423 ' O ' ' HA ' ' A' ' 659' ' ' ASN . 1.1 t -84.84 147.82 26.61 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.294 -0.879 . . . . 0.0 109.952 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . 0.531 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.7 OUTLIER -152.65 -177.01 5.97 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.212 -0.93 . . . . 0.0 110.122 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -63.39 76.09 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.263 -0.898 . . . . 0.0 110.218 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 686' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 173.5 -35.62 0.12 Allowed Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 687' ' ' TRP . . . . . 0.471 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 44.5 m0 -89.82 40.24 0.99 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.295 -1.121 . . . . 0.0 109.785 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 688' ' ' GLU . . . . . 0.589 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.0 OUTLIER -88.93 -48.06 0.42 Allowed Pre-proline 0 N--CA 1.494 1.759 0 O-C-N 121.414 -0.804 . . . . 0.0 110.495 -179.689 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 689' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.7 Cg_endo -71.41 0.12 7.31 Favored 'Trans proline' 0 C--N 1.315 -1.216 0 O-C-N 123.211 1.111 . . . . 0.0 110.552 179.625 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 690' ' ' SER . . . . . 0.514 ' CB ' ' CE2' ' A' ' 675' ' ' TYR . 1.3 t 59.63 61.7 1.9 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.328 -0.857 . . . . 0.0 109.625 -179.391 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 691' ' ' ASN . . . . . 0.457 ' OD1' ' HB2' ' A' ' 689' ' ' PRO . 7.3 m-20 -85.36 5.14 32.06 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.223 -0.923 . . . . 0.0 110.441 -179.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 692' ' ' VAL . . . . . 0.464 HG23 ' CD1' ' A' ' 695' ' ' LEU . 12.3 m -129.51 85.42 58.85 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.046 -1.034 . . . . 0.0 110.608 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -61.21 -12.75 24.73 Favored 'Trans proline' 0 C--N 1.31 -1.457 0 O-C-N 123.692 1.364 . . . . 0.0 110.472 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -60.5 -36.43 78.32 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.331 -0.856 . . . . 0.0 110.373 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 695' ' ' LEU . . . . . 1.059 HD13 ' N ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -121.8 -11.83 8.53 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.186 -0.946 . . . . 0.0 110.298 -179.818 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 696' ' ' TRP . . . . . 1.059 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.9 OUTLIER -101.22 109.23 21.06 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.163 -0.96 . . . . 0.0 110.117 179.495 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 697' ' ' GLN . . . . . 0.491 ' NE2' HD12 ' A' ' 678' ' ' LEU . 0.4 OUTLIER -102.02 73.4 1.38 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.112 -0.992 . . . . 0.0 109.977 179.737 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . 0.857 HD13 ' CZ ' ' A' ' 675' ' ' TYR . 43.7 tp -53.98 161.1 1.3 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.291 -0.881 . . . . 0.0 110.329 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 699' ' ' GLN . . . . . 0.525 ' N ' ' HG ' ' A' ' 698' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.599 0 O-C-N 121.305 -0.872 . . . . 0.0 110.275 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 656' ' ' TRP . . . . . 0.423 ' CZ3' ' HB ' ' A' ' 658' ' ' VAL . 86.2 t90 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.202 0.525 . . . . 0.0 110.094 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -122.76 123.23 40.59 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.268 -0.895 . . . . 0.0 110.243 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 658' ' ' VAL . . . . . 0.423 ' HB ' ' CZ3' ' A' ' 656' ' ' TRP . 7.7 p -68.23 156.32 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.346 -0.846 . . . . 0.0 110.242 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 58.68 49.57 10.04 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.24 -0.913 . . . . 0.0 110.015 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 27.9 m -139.68 132.73 29.54 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.274 -0.891 . . . . 0.0 110.364 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -78.34 119.37 21.59 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.267 -0.896 . . . . 0.0 110.149 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 662' ' ' TYR . . . . . 0.425 ' O ' ' HA ' ' A' ' 680' ' ' PRO . 14.7 m-85 -107.36 146.34 31.72 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.29 -0.881 . . . . 0.0 110.146 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 1.4 p -100.9 163.52 12.26 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.204 -0.935 . . . . 0.0 110.262 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 664' ' ' ALA . . . . . 0.98 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -58.93 119.73 7.76 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.309 -0.87 . . . . 0.0 110.412 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 665' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 100.58 29.33 6.66 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 666' ' ' GLN . . . . . 0.52 ' HB2' ' HB3' ' A' ' 677' ' ' CYS . 1.3 tm0? -90.23 -178.12 5.31 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.151 -1.205 . . . . 0.0 110.335 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.79 116.78 9.92 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.343 -0.848 . . . . 0.0 110.401 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 668' ' ' VAL . . . . . 0.502 ' CG2' ' HB2' ' A' ' 675' ' ' TYR . 2.4 m -129.8 156.27 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.117 -0.989 . . . . 0.0 109.903 179.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 669' ' ' THR . . . . . 0.427 HG22 ' HA ' ' A' ' 674' ' ' THR . 23.4 p . . . . . 0 N--CA 1.492 1.651 0 O-C-N 121.064 -1.023 . . . . 0.0 110.088 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 674' ' ' THR . . . . . 0.507 ' HB ' ' HG3' ' A' ' 699' ' ' GLN . 1.7 m . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 121.229 0.538 . . . . 0.0 109.835 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 675' ' ' TYR . . . . . 0.638 ' CE1' ' HB3' ' A' ' 698' ' ' LEU . 36.1 m-85 -131.81 159.7 37.77 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.25 -0.906 . . . . 0.0 110.64 -179.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . 0.476 ' HG2' ' HB3' ' A' ' 697' ' ' GLN . 0.0 OUTLIER -140.15 129.85 24.42 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.351 -0.843 . . . . 0.0 109.528 179.291 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . 0.52 ' HB3' ' HB2' ' A' ' 666' ' ' GLN . 0.5 OUTLIER -75.93 138.16 40.82 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.311 -0.868 . . . . 0.0 110.25 -179.692 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.502 HD12 ' HB2' ' A' ' 697' ' ' GLN . 0.1 OUTLIER -116.25 -7.82 11.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.299 -0.875 . . . . 0.0 110.564 -179.775 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 679' ' ' GLN . . . . . 0.528 ' HB3' ' CE1' ' A' ' 681' ' ' HIS . 0.2 OUTLIER -146.78 141.16 15.8 Favored Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.1 -1.0 . . . . 0.0 110.439 -179.892 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 680' ' ' PRO . . . . . 0.98 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.1 Cg_exo -61.76 95.46 0.13 Allowed 'Trans proline' 0 C--N 1.314 -1.252 0 O-C-N 123.496 1.261 . . . . 0.0 110.664 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 681' ' ' HIS . . . . . 0.528 ' CE1' ' HB3' ' A' ' 679' ' ' GLN . 20.1 m80 -131.09 -166.16 1.66 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.267 -0.895 . . . . 0.0 110.167 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 682' ' ' THR . . . . . 0.58 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 53.8 m -123.73 122.83 39.1 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.237 -0.914 . . . . 0.0 110.547 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 48.2 p -86.85 137.79 32.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.276 -0.89 . . . . 0.0 109.925 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . 0.584 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.6 OUTLIER -146.94 -177.53 5.71 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.218 -0.926 . . . . 0.0 110.611 -179.862 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -62.56 74.06 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.335 -0.853 . . . . 0.0 110.071 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 686' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 176.38 -37.81 0.1 OUTLIER Glycine 0 N--CA 1.489 2.171 0 N-CA-C 109.418 -1.473 . . . . 0.0 109.418 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 687' ' ' TRP . . . . . 0.58 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 40.0 m0 -89.07 38.91 0.91 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.149 -1.207 . . . . 0.0 110.253 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 688' ' ' GLU . . . . . 0.603 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.7 mt-10 -88.11 -48.53 0.44 Allowed Pre-proline 0 N--CA 1.494 1.766 0 O-C-N 121.268 -0.895 . . . . 0.0 110.41 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 689' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.5 Cg_endo -71.1 -2.51 11.23 Favored 'Trans proline' 0 C--N 1.314 -1.238 0 O-C-N 123.346 1.182 . . . . 0.0 110.346 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 690' ' ' SER . . . . . 0.528 ' CB ' ' CE1' ' A' ' 675' ' ' TYR . 1.7 p 64.37 62.87 0.79 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.308 -0.87 . . . . 0.0 109.861 -179.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -85.17 6.94 23.67 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.141 -0.974 . . . . 0.0 110.811 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 692' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 692' ' ' VAL . 25.7 m -137.46 84.41 23.41 Favored Pre-proline 0 N--CA 1.493 1.688 0 O-C-N 120.984 -1.072 . . . . 0.0 110.552 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -60.51 -15.58 37.07 Favored 'Trans proline' 0 C--N 1.312 -1.38 0 O-C-N 123.68 1.358 . . . . 0.0 110.545 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -49.58 -37.81 28.9 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.187 -0.946 . . . . 0.0 109.958 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 695' ' ' LEU . . . . . 0.809 HD12 ' N ' ' A' ' 696' ' ' TRP . 1.1 pp -129.92 -1.34 4.71 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.241 -0.912 . . . . 0.0 110.015 179.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 696' ' ' TRP . . . . . 0.809 ' N ' HD12 ' A' ' 695' ' ' LEU . 0.7 OUTLIER -111.36 92.39 4.02 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.232 -0.917 . . . . 0.0 109.786 179.574 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 697' ' ' GLN . . . . . 0.502 ' HB2' HD12 ' A' ' 678' ' ' LEU . 16.4 tt0 -99.22 108.23 20.75 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.189 -0.944 . . . . 0.0 109.784 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . 0.985 HD12 ' N ' ' A' ' 699' ' ' GLN . 0.9 OUTLIER -96.39 -174.27 3.01 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.356 -0.84 . . . . 0.0 110.762 -179.409 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 699' ' ' GLN . . . . . 0.985 ' N ' HD12 ' A' ' 698' ' ' LEU . 2.7 pt20 . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.49 -0.756 . . . . 0.0 110.161 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 656' ' ' TRP . . . . . 0.457 ' CH2' ' HB ' ' A' ' 658' ' ' VAL . 66.9 t90 . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 121.219 0.533 . . . . 0.0 110.332 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -135.8 139.65 43.64 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.273 -0.892 . . . . 0.0 110.12 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 658' ' ' VAL . . . . . 0.47 HG12 ' H ' ' A' ' 658' ' ' VAL . 3.6 p -79.2 148.97 5.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.275 -0.89 . . . . 0.0 110.432 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 39.5 t30 60.07 43.04 14.86 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.38 -0.825 . . . . 0.0 109.767 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 92.6 m -125.42 149.28 48.34 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.426 -0.797 . . . . 0.0 110.102 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -101.37 113.67 26.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.255 -0.903 . . . . 0.0 110.206 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -101.89 157.61 16.73 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.351 -0.843 . . . . 0.0 110.018 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 1.5 p -99.52 178.88 4.73 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.269 -0.895 . . . . 0.0 110.07 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 664' ' ' ALA . . . . . 0.992 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -73.57 124.09 25.23 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.202 -0.936 . . . . 0.0 110.127 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 665' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 92.15 27.78 15.09 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.389 -1.485 . . . . 0.0 109.389 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 666' ' ' GLN . . . . . 0.424 ' O ' ' HA ' ' A' ' 676' ' ' LYS . 1.0 OUTLIER -88.13 177.55 6.87 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.233 -1.157 . . . . 0.0 110.217 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 667' ' ' LEU . . . . . 0.822 HD23 ' N ' ' A' ' 668' ' ' VAL . 2.2 tt -136.56 128.64 29.6 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.229 -0.92 . . . . 0.0 110.454 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 668' ' ' VAL . . . . . 0.822 ' N ' HD23 ' A' ' 667' ' ' LEU . 2.9 m -133.39 164.87 33.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.391 -0.818 . . . . 0.0 109.772 179.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 669' ' ' THR . . . . . 0.614 HG22 HG23 ' A' ' 674' ' ' THR . 69.4 p . . . . . 0 N--CA 1.491 1.603 0 O-C-N 120.993 -1.067 . . . . 0.0 110.545 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 674' ' ' THR . . . . . 0.614 HG23 HG22 ' A' ' 669' ' ' THR . 2.6 m . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 121.363 0.601 . . . . 0.0 110.605 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 675' ' ' TYR . . . . . 0.952 ' CE2' HD13 ' A' ' 698' ' ' LEU . 87.9 m-85 -122.22 166.55 14.44 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.363 -0.836 . . . . 0.0 110.127 179.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . 0.492 ' HB2' ' O ' ' A' ' 697' ' ' GLN . 0.7 OUTLIER -129.55 101.18 5.82 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.146 -0.971 . . . . 0.0 110.58 -179.741 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 665' ' ' GLY . 0.0 OUTLIER -50.15 141.19 11.61 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.315 -0.865 . . . . 0.0 110.059 179.81 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.434 ' O ' HD23 ' A' ' 678' ' ' LEU . 3.3 tt -118.7 -15.74 9.45 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.386 -0.821 . . . . 0.0 110.296 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 679' ' ' GLN . . . . . 0.402 ' HA ' ' HD3' ' A' ' 680' ' ' PRO . 6.3 mt-30 -136.12 140.46 33.08 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.145 -0.972 . . . . 0.0 110.194 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 680' ' ' PRO . . . . . 0.992 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 2.9 Cg_endo -62.5 98.62 0.19 Allowed 'Trans proline' 0 C--N 1.312 -1.348 0 O-C-N 123.522 1.275 . . . . 0.0 110.475 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 681' ' ' HIS . . . . . 0.515 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 4.9 m-70 -137.74 -166.03 1.88 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.239 -0.913 . . . . 0.0 110.072 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 8.2 m -128.03 123.79 35.55 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.247 -0.908 . . . . 0.0 109.847 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 683' ' ' SER . . . . . 0.456 ' C ' HD13 ' A' ' 684' ' ' LEU . 0.3 OUTLIER -87.82 137.94 31.89 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.282 -0.886 . . . . 0.0 109.98 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . 0.887 HD13 ' N ' ' A' ' 684' ' ' LEU . 0.0 OUTLIER -141.45 -166.38 2.18 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.302 -0.874 . . . . 0.0 110.592 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -61.65 82.53 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.202 -0.936 . . . . 0.0 110.12 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 686' ' ' GLY . . . . . 0.523 ' O ' ' HD2' ' A' ' 689' ' ' PRO . . . 158.44 -36.32 0.52 Allowed Glycine 0 N--CA 1.489 2.187 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 687' ' ' TRP . . . . . 0.47 ' CZ3' ' HB3' ' A' ' 681' ' ' HIS . 1.8 m0 -84.85 26.96 0.78 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.155 -1.203 . . . . 0.0 110.667 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 688' ' ' GLU . . . . . 0.608 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 5.6 mt-10 -90.88 -45.1 0.38 Allowed Pre-proline 0 N--CA 1.498 1.949 0 O-C-N 121.046 -1.034 . . . . 0.0 111.869 -179.266 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 689' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.6 Cg_endo -68.15 -3.23 10.34 Favored 'Trans proline' 0 C--N 1.315 -1.209 0 O-C-N 122.985 0.992 . . . . 0.0 110.939 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 690' ' ' SER . . . . . 0.449 ' O ' ' OG ' ' A' ' 690' ' ' SER . 1.3 p 65.64 47.37 2.19 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.127 -0.983 . . . . 0.0 109.635 -179.428 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 691' ' ' ASN . . . . . 0.61 ' OD1' HG13 ' A' ' 692' ' ' VAL . 11.1 p30 -83.2 16.25 2.52 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.242 -0.911 . . . . 0.0 110.57 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 692' ' ' VAL . . . . . 0.61 HG13 ' OD1' ' A' ' 691' ' ' ASN . 14.4 m -138.76 76.13 35.46 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.081 -1.012 . . . . 0.0 110.089 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -59.65 -15.92 33.96 Favored 'Trans proline' 0 C--N 1.311 -1.406 0 O-C-N 123.696 1.366 . . . . 0.0 110.505 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -60.69 -42.61 97.48 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.309 -0.869 . . . . 0.0 109.955 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 695' ' ' LEU . . . . . 1.086 HD13 ' N ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -108.69 -13.99 14.7 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.185 -0.947 . . . . 0.0 109.874 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 696' ' ' TRP . . . . . 1.086 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.2 OUTLIER -99.49 127.03 45.53 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.323 -0.861 . . . . 0.0 110.187 179.915 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 697' ' ' GLN . . . . . 0.492 ' O ' ' HB2' ' A' ' 676' ' ' LYS . 6.1 tp-100 -108.77 72.01 0.8 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.254 -0.904 . . . . 0.0 109.602 179.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . 0.952 HD13 ' CE2' ' A' ' 675' ' ' TYR . 22.4 tp -54.27 156.82 2.98 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.283 -0.886 . . . . 0.0 110.819 -179.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 699' ' ' GLN . . . . . 0.51 ' NE2' ' HB ' ' A' ' 674' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.415 -0.803 . . . . 0.0 110.196 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 656' ' ' TRP . . . . . 0.548 ' CH2' ' HB ' ' A' ' 658' ' ' VAL . 78.4 t90 . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 121.367 0.603 . . . . 0.0 110.369 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 657' ' ' GLN . . . . . 0.418 ' N ' ' CG ' ' A' ' 656' ' ' TRP . 37.5 mt-30 -143.94 134.44 24.76 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.325 -0.86 . . . . 0.0 109.896 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 658' ' ' VAL . . . . . 0.548 ' HB ' ' CH2' ' A' ' 656' ' ' TRP . 3.4 p -77.71 148.2 6.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.261 -0.899 . . . . 0.0 110.763 -179.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 659' ' ' ASN . . . . . 0.437 ' CB ' ' O ' ' A' ' 658' ' ' VAL . 4.1 t-20 65.71 51.86 1.38 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.438 -0.789 . . . . 0.0 110.374 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 660' ' ' THR . . . . . 0.561 HG22 ' N ' ' A' ' 661' ' ' ALA . 31.0 m -137.73 169.66 17.4 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.308 -0.87 . . . . 0.0 110.1 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . 0.561 ' N ' HG22 ' A' ' 660' ' ' THR . . . -115.16 117.7 31.26 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.297 -0.877 . . . . 0.0 110.478 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -109.93 156.32 20.59 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.163 -0.961 . . . . 0.0 110.179 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.52 170.93 7.65 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.271 -0.893 . . . . 0.0 110.025 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 664' ' ' ALA . . . . . 1.035 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -68.73 103.99 1.89 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.239 -0.913 . . . . 0.0 110.107 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 119.56 28.44 1.93 Allowed Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 666' ' ' GLN . . . . . 0.456 ' O ' ' HA ' ' A' ' 676' ' ' LYS . 0.0 OUTLIER -88.98 170.41 10.69 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.224 -1.162 . . . . 0.0 109.988 179.855 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.22 92.82 2.83 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.165 -0.959 . . . . 0.0 110.398 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 668' ' ' VAL . . . . . 0.433 HG12 ' NE2' ' A' ' 666' ' ' GLN . 2.1 m -100.59 172.75 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.347 -0.846 . . . . 0.0 110.055 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.204 -0.935 . . . . 0.0 109.959 179.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 674' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 121.156 0.503 . . . . 0.0 109.703 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 675' ' ' TYR . . . . . 0.641 ' CD2' ' HB3' ' A' ' 698' ' ' LEU . 17.6 m-85 -133.27 157.67 44.86 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.223 -0.923 . . . . 0.0 110.676 -179.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . 0.477 ' HE2' HD12 ' A' ' 678' ' ' LEU . 0.1 OUTLIER -140.56 120.44 13.54 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.329 -0.857 . . . . 0.0 109.904 179.816 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . 0.416 ' HB3' ' HB2' ' A' ' 666' ' ' GLN . 0.5 OUTLIER -67.64 142.79 56.29 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.152 -0.968 . . . . 0.0 110.287 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.477 HD12 ' HE2' ' A' ' 676' ' ' LYS . 1.5 tt -120.42 -6.21 9.81 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.242 -0.911 . . . . 0.0 110.114 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 679' ' ' GLN . . . . . 0.511 ' HB3' ' NE2' ' A' ' 681' ' ' HIS . 30.5 mt-30 -140.5 139.45 20.45 Favored Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.261 -0.9 . . . . 0.0 110.098 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 680' ' ' PRO . . . . . 1.035 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.0 Cg_exo -62.99 96.07 0.17 Allowed 'Trans proline' 0 C--N 1.314 -1.256 0 O-C-N 123.486 1.256 . . . . 0.0 110.326 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 681' ' ' HIS . . . . . 0.514 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 17.0 m-70 -138.78 -164.59 1.67 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.211 -0.93 . . . . 0.0 110.308 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 8.2 m -127.84 122.71 33.3 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.307 -0.871 . . . . 0.0 110.089 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.06 142.92 43.68 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.214 -0.929 . . . . 0.0 110.229 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . 0.618 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.8 OUTLIER -146.52 178.41 8.31 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.29 -0.881 . . . . 0.0 110.618 -179.906 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -64.51 70.67 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.332 -0.855 . . . . 0.0 110.171 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 686' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . -179.22 -32.93 0.06 OUTLIER Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 32.0 m0 -88.86 38.64 0.89 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.237 -1.155 . . . . 0.0 110.213 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 688' ' ' GLU . . . . . 0.582 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.6 mt-10 -90.01 -48.29 0.38 Allowed Pre-proline 0 N--CA 1.497 1.877 0 O-C-N 121.269 -0.894 . . . . 0.0 110.88 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 689' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.8 Cg_endo -69.1 -5.3 15.46 Favored 'Trans proline' 0 C--N 1.314 -1.253 0 O-C-N 123.281 1.148 . . . . 0.0 110.237 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 690' ' ' SER . . . . . 0.45 ' O ' ' OG ' ' A' ' 690' ' ' SER . 1.7 p 62.67 52.8 2.72 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.441 -0.787 . . . . 0.0 110.134 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 691' ' ' ASN . . . . . 0.737 ' OD1' HG13 ' A' ' 692' ' ' VAL . 26.3 p30 -82.29 16.29 2.09 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.191 -0.943 . . . . 0.0 110.482 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 692' ' ' VAL . . . . . 0.737 HG13 ' OD1' ' A' ' 691' ' ' ASN . 3.4 m -137.22 75.81 45.78 Favored Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.173 -0.954 . . . . 0.0 109.688 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -59.98 -14.01 25.92 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 O-C-N 123.725 1.382 . . . . 0.0 110.772 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 694' ' ' ALA . . . . . 0.433 ' O ' ' OE1' ' A' ' 679' ' ' GLN . . . -67.37 -39.13 85.66 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.247 -0.908 . . . . 0.0 110.408 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 695' ' ' LEU . . . . . 1.108 HD13 ' N ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -114.99 -14.04 11.87 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.171 -0.956 . . . . 0.0 110.378 -179.835 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 696' ' ' TRP . . . . . 1.108 ' N ' HD13 ' A' ' 695' ' ' LEU . 1.6 m95 -111.46 93.84 4.67 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.074 -1.016 . . . . 0.0 110.148 179.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 697' ' ' GLN . . . . . 0.453 ' O ' ' HB3' ' A' ' 676' ' ' LYS . 22.4 tt0 -99.65 111.66 23.98 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.181 -0.95 . . . . 0.0 109.611 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . 0.641 ' HB3' ' CD2' ' A' ' 675' ' ' TYR . 0.5 OUTLIER -99.84 -167.74 1.5 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.194 -0.941 . . . . 0.0 110.88 -179.211 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 699' ' ' GLN . . . . . 0.541 ' N ' HD12 ' A' ' 698' ' ' LEU . 12.4 pt20 . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.35 -0.844 . . . . 0.0 110.258 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 656' ' ' TRP . . . . . 0.487 ' O ' ' CG ' ' A' ' 657' ' ' GLN . 89.2 t90 . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 121.399 0.619 . . . . 0.0 110.579 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 657' ' ' GLN . . . . . 0.487 ' CG ' ' O ' ' A' ' 656' ' ' TRP . 32.3 mt-30 -156.7 146.7 21.05 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.409 -0.807 . . . . 0.0 109.858 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 658' ' ' VAL . . . . . 0.478 ' O ' ' HB3' ' A' ' 659' ' ' ASN . 4.9 p -86.75 149.01 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.203 -0.936 . . . . 0.0 110.439 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 659' ' ' ASN . . . . . 0.478 ' HB3' ' O ' ' A' ' 658' ' ' VAL . 28.9 t30 64.49 50.57 2.18 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.465 -0.772 . . . . 0.0 110.241 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 660' ' ' THR . . . . . 0.465 ' O ' HG23 ' A' ' 682' ' ' THR . 6.3 m -134.79 172.27 13.2 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.248 -0.908 . . . . 0.0 110.148 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . 0.411 ' H ' HG22 ' A' ' 660' ' ' THR . . . -113.57 109.49 18.71 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.229 -0.919 . . . . 0.0 110.06 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -102.53 155.13 18.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.186 -0.946 . . . . 0.0 110.41 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 663' ' ' THR . . . . . 0.445 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 13.9 p -103.07 -166.98 1.33 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.27 -0.894 . . . . 0.0 109.933 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 664' ' ' ALA . . . . . 0.938 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -86.87 148.9 25.17 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.156 -0.965 . . . . 0.0 110.139 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 665' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 63.96 29.45 74.88 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.621 -1.391 . . . . 0.0 109.621 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 666' ' ' GLN . . . . . 0.456 ' HB2' ' HB3' ' A' ' 677' ' ' CYS . 0.0 OUTLIER -86.91 171.86 10.49 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.218 -1.166 . . . . 0.0 110.099 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.63 125.91 39.12 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.219 -0.926 . . . . 0.0 110.303 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 668' ' ' VAL . . . . . 0.568 ' CG2' ' HB2' ' A' ' 675' ' ' TYR . 3.0 m -135.69 160.91 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.345 -0.847 . . . . 0.0 110.0 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 34.8 p . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.246 -0.909 . . . . 0.0 110.113 179.813 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 674' ' ' THR . . . . . 0.427 ' HB ' ' HG3' ' A' ' 699' ' ' GLN . 1.9 m . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 121.208 0.528 . . . . 0.0 109.993 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 675' ' ' TYR . . . . . 0.571 ' CE1' ' CB ' ' A' ' 698' ' ' LEU . 28.4 m-85 -133.53 155.2 50.02 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.174 -0.954 . . . . 0.0 110.603 -179.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.87 113.81 10.5 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.367 -0.833 . . . . 0.0 110.099 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 665' ' ' GLY . 4.8 t -69.05 141.96 54.66 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.289 -0.882 . . . . 0.0 110.1 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.487 HD13 ' HB2' ' A' ' 697' ' ' GLN . 2.1 mp -113.78 -20.0 11.3 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.242 -0.911 . . . . 0.0 110.256 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 679' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 678' ' ' LEU . 91.2 mm-40 -136.06 145.99 54.7 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.342 -0.849 . . . . 0.0 110.275 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 680' ' ' PRO . . . . . 0.938 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 2.9 Cg_endo -62.12 106.3 0.46 Allowed 'Trans proline' 0 C--N 1.311 -1.402 0 O-C-N 123.639 1.337 . . . . 0.0 110.496 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 681' ' ' HIS . . . . . 0.509 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 22.2 m-70 -142.49 174.31 10.74 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.185 -0.947 . . . . 0.0 110.215 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 682' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 660' ' ' THR . 94.9 m -111.36 121.7 45.92 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.223 -0.923 . . . . 0.0 110.419 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.57 148.58 36.95 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.226 -0.921 . . . . 0.0 109.896 179.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . 0.673 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.9 OUTLIER -149.91 -179.39 7.1 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.081 -1.012 . . . . 0.0 110.605 -179.822 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -63.95 78.03 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.315 -0.866 . . . . 0.0 110.08 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 686' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 169.39 -35.17 0.18 Allowed Glycine 0 N--CA 1.49 2.233 0 N-CA-C 109.376 -1.49 . . . . 0.0 109.376 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 30.7 m0 -87.22 33.34 0.68 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.234 -1.157 . . . . 0.0 110.105 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 688' ' ' GLU . . . . . 0.597 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.8 mt-10 -87.35 -48.65 0.47 Allowed Pre-proline 0 N--CA 1.495 1.795 0 O-C-N 121.304 -0.873 . . . . 0.0 110.038 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 689' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.6 Cg_endo -70.71 -3.98 13.73 Favored 'Trans proline' 0 C--N 1.314 -1.266 0 O-C-N 123.389 1.205 . . . . 0.0 110.075 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 690' ' ' SER . . . . . 0.5 ' O ' ' OG ' ' A' ' 690' ' ' SER . 1.7 p 67.06 67.57 0.41 Allowed 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 121.733 0.778 . . . . 0.0 109.967 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -90.14 -1.1 57.9 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.165 -0.959 . . . . 0.0 110.92 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 692' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 692' ' ' VAL . 25.4 m -126.03 83.68 62.74 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.003 -1.061 . . . . 0.0 110.61 -179.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -60.98 -12.35 22.19 Favored 'Trans proline' 0 C--N 1.31 -1.46 0 O-C-N 123.54 1.284 . . . . 0.0 110.487 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -58.38 -37.69 75.77 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.338 -0.851 . . . . 0.0 110.386 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 695' ' ' LEU . . . . . 1.086 HD13 ' N ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -123.45 -12.66 7.72 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.169 -0.957 . . . . 0.0 110.362 -179.747 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 696' ' ' TRP . . . . . 1.086 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.6 OUTLIER -100.36 103.67 15.07 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.101 -0.999 . . . . 0.0 110.2 179.752 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 697' ' ' GLN . . . . . 0.487 ' HB2' HD13 ' A' ' 678' ' ' LEU . 14.2 tp60 -100.29 91.96 4.97 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.279 -0.888 . . . . 0.0 110.037 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . 0.922 HD12 ' N ' ' A' ' 699' ' ' GLN . 0.3 OUTLIER -90.65 165.68 13.58 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.237 -0.914 . . . . 0.0 110.415 -179.682 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 699' ' ' GLN . . . . . 0.922 ' N ' HD12 ' A' ' 698' ' ' LEU . 1.4 pp0? . . . . . 0 N--CA 1.491 1.62 0 O-C-N 121.369 -0.832 . . . . 0.0 110.189 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 656' ' ' TRP . . . . . 0.572 ' CH2' HG12 ' A' ' 658' ' ' VAL . 66.9 t90 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.233 0.539 . . . . 0.0 110.386 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -123.83 164.63 18.82 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.319 -0.863 . . . . 0.0 110.007 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 658' ' ' VAL . . . . . 0.572 HG12 ' CH2' ' A' ' 656' ' ' TRP . 15.3 m -89.2 154.78 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.275 -0.891 . . . . 0.0 110.171 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 659' ' ' ASN . . . . . 0.416 ' CB ' ' O ' ' A' ' 658' ' ' VAL . 0.2 OUTLIER 63.5 50.01 2.96 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.238 -0.914 . . . . 0.0 109.994 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 660' ' ' THR . . . . . 0.701 ' O ' HG23 ' A' ' 682' ' ' THR . 91.7 m -135.79 161.4 35.7 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.249 -0.907 . . . . 0.0 110.319 -179.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -109.69 127.89 54.89 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.233 -0.917 . . . . 0.0 110.102 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 662' ' ' TYR . . . . . 0.442 ' HD2' ' HG ' ' A' ' 683' ' ' SER . 15.5 m-85 -118.59 157.07 28.06 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.205 -0.934 . . . . 0.0 110.342 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.41 167.97 9.4 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.177 -0.952 . . . . 0.0 109.949 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 664' ' ' ALA . . . . . 1.025 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -66.94 121.91 16.57 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.199 -0.938 . . . . 0.0 110.26 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 96.18 25.45 12.63 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 666' ' ' GLN . . . . . 0.456 ' HA ' ' OE1' ' A' ' 666' ' ' GLN . 0.0 OUTLIER -83.5 172.31 12.52 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.144 -1.21 . . . . 0.0 110.282 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 667' ' ' LEU . . . . . 0.723 HD23 ' HB2' ' A' ' 676' ' ' LYS . 26.8 mt -137.6 95.99 3.16 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.289 -0.882 . . . . 0.0 110.179 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 668' ' ' VAL . . . . . 0.438 HG21 ' HD1' ' A' ' 656' ' ' TRP . 2.6 m -105.68 176.55 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.419 -0.8 . . . . 0.0 109.988 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 74.7 p . . . . . 0 N--CA 1.492 1.627 0 O-C-N 121.271 -0.893 . . . . 0.0 110.111 179.593 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 674' ' ' THR . . . . . 0.42 ' O ' ' HB2' ' A' ' 698' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 675' ' ' TYR . . . . . 0.619 ' CD2' ' HB3' ' A' ' 698' ' ' LEU . 14.8 m-85 -131.86 159.5 38.39 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.18 -0.95 . . . . 0.0 111.096 -179.16 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . 0.723 ' HB2' HD23 ' A' ' 667' ' ' LEU . 0.0 OUTLIER -140.48 118.96 12.22 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.415 -0.803 . . . . 0.0 109.668 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.13 148.67 49.61 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.25 -0.906 . . . . 0.0 110.575 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 678' ' ' LEU . 1.2 tt -121.1 -13.03 8.62 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.33 -0.856 . . . . 0.0 110.511 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 679' ' ' GLN . . . . . 0.516 ' HB3' ' CD2' ' A' ' 681' ' ' HIS . 0.0 OUTLIER -136.76 145.12 49.68 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.105 -0.997 . . . . 0.0 110.316 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 680' ' ' PRO . . . . . 1.025 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.1 Cg_exo -62.14 111.63 1.31 Allowed 'Trans proline' 0 C--N 1.312 -1.359 0 O-C-N 123.651 1.343 . . . . 0.0 110.801 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 681' ' ' HIS . . . . . 0.542 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 35.1 m-70 -156.01 -160.95 1.07 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.272 -0.893 . . . . 0.0 110.079 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 682' ' ' THR . . . . . 0.701 HG23 ' O ' ' A' ' 660' ' ' THR . 5.8 m -136.9 134.2 36.56 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.042 -1.036 . . . . 0.0 110.617 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 683' ' ' SER . . . . . 0.442 ' HG ' ' HD2' ' A' ' 662' ' ' TYR . 55.6 m -80.76 149.12 29.77 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.306 -0.871 . . . . 0.0 109.796 179.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . 0.635 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.6 OUTLIER -154.36 -177.53 6.52 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.336 -0.852 . . . . 0.0 110.396 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -64.65 77.25 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.284 -0.885 . . . . 0.0 110.334 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 686' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 169.12 -31.92 0.17 Allowed Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.844 -1.302 . . . . 0.0 109.844 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 687' ' ' TRP . . . . . 0.552 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 35.0 m0 -86.43 32.52 0.64 Allowed 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.065 -1.256 . . . . 0.0 110.42 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 688' ' ' GLU . . . . . 0.599 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.1 mt-10 -89.12 -48.08 0.41 Allowed Pre-proline 0 N--CA 1.495 1.815 0 O-C-N 121.138 -0.976 . . . . 0.0 110.663 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 689' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.5 Cg_endo -70.35 -0.73 7.84 Favored 'Trans proline' 0 C--N 1.314 -1.256 0 O-C-N 123.279 1.147 . . . . 0.0 110.779 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 690' ' ' SER . . . . . 0.455 ' O ' ' OG ' ' A' ' 690' ' ' SER . 3.9 p 60.12 53.53 4.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.227 -0.921 . . . . 0.0 110.024 -179.454 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 691' ' ' ASN . . . . . 0.439 ' OD1' HG13 ' A' ' 692' ' ' VAL . 9.6 p30 -84.89 17.11 2.98 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.269 -0.894 . . . . 0.0 110.382 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 692' ' ' VAL . . . . . 0.439 HG13 ' OD1' ' A' ' 691' ' ' ASN . 3.4 m -136.99 78.33 41.27 Favored Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.268 -0.895 . . . . 0.0 109.822 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -62.6 -9.45 15.97 Favored 'Trans proline' 0 C--N 1.311 -1.411 0 O-C-N 123.713 1.375 . . . . 0.0 110.781 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -74.47 -29.18 61.35 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.158 -0.964 . . . . 0.0 110.795 -179.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 695' ' ' LEU . . . . . 1.087 HD13 ' N ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -124.98 -12.7 6.97 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.968 -1.082 . . . . 0.0 110.921 -179.485 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 696' ' ' TRP . . . . . 1.087 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.8 OUTLIER -111.25 93.12 4.32 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.972 -1.08 . . . . 0.0 110.173 179.775 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 697' ' ' GLN . . . . . 0.469 ' HG2' ' HD2' ' A' ' 676' ' ' LYS . 1.8 tt0 -99.57 109.36 21.88 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.294 -0.879 . . . . 0.0 109.222 179.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . 0.707 HD12 ' N ' ' A' ' 699' ' ' GLN . 0.7 OUTLIER -96.02 -167.27 1.56 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.097 -1.002 . . . . 0.0 111.051 -179.216 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 699' ' ' GLN . . . . . 0.707 ' N ' HD12 ' A' ' 698' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.475 -0.766 . . . . 0.0 110.28 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 656' ' ' TRP . . . . . 0.537 ' CZ3' HG22 ' A' ' 658' ' ' VAL . 50.0 t90 . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.316 0.579 . . . . 0.0 110.219 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -120.7 137.36 54.52 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.329 -0.857 . . . . 0.0 110.049 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 658' ' ' VAL . . . . . 0.537 HG22 ' CZ3' ' A' ' 656' ' ' TRP . 3.7 t -76.16 144.67 11.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.219 -0.926 . . . . 0.0 110.116 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 659' ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' ' 658' ' ' VAL . 1.4 t-20 65.69 55.75 0.97 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.248 -0.907 . . . . 0.0 110.305 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 91.2 m -140.09 138.63 35.48 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.212 -0.93 . . . . 0.0 110.233 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -83.08 113.49 20.65 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.238 -0.913 . . . . 0.0 110.111 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 662' ' ' TYR . . . . . 0.525 ' O ' ' HA ' ' A' ' 680' ' ' PRO . 46.3 m-85 -102.46 152.42 21.14 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.216 -0.928 . . . . 0.0 110.38 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 663' ' ' THR . . . . . 0.436 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 23.3 p -99.87 162.91 12.7 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.376 -0.828 . . . . 0.0 110.243 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 664' ' ' ALA . . . . . 0.966 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -57.5 133.93 55.65 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.274 -0.891 . . . . 0.0 110.16 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 665' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 81.75 29.32 39.4 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 666' ' ' GLN . . . . . 0.55 ' CB ' ' HB2' ' A' ' 677' ' ' CYS . 1.0 OUTLIER -85.35 164.37 18.0 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.271 -1.135 . . . . 0.0 110.067 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 667' ' ' LEU . . . . . 0.666 HD13 ' C ' ' A' ' 667' ' ' LEU . 1.7 tm? -127.5 106.74 9.39 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.319 -0.863 . . . . 0.0 110.32 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 668' ' ' VAL . . . . . 0.528 ' CG2' ' HB2' ' A' ' 675' ' ' TYR . 2.9 m -118.11 167.24 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.153 -0.967 . . . . 0.0 109.952 179.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 60.7 p . . . . . 0 N--CA 1.489 1.517 0 O-C-N 121.185 -0.947 . . . . 0.0 110.365 179.758 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 674' ' ' THR . . . . . 0.742 ' O ' HD12 ' A' ' 698' ' ' LEU . 85.0 m . . . . . 0 N--CA 1.492 1.651 0 N-CA-C 109.649 -0.501 . . . . 0.0 109.649 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 675' ' ' TYR . . . . . 0.903 ' CE1' HD13 ' A' ' 698' ' ' LEU . 27.6 m-85 -114.82 168.8 9.58 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.218 -0.926 . . . . 0.0 110.959 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 697' ' ' GLN . 0.0 OUTLIER -138.44 102.77 4.71 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.548 -0.72 . . . . 0.0 110.209 -179.704 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . 0.55 ' HB2' ' CB ' ' A' ' 666' ' ' GLN . 0.0 OUTLIER -58.29 143.88 43.15 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.127 -0.983 . . . . 0.0 110.065 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 3.0 tp -116.36 -19.99 9.91 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.286 -0.884 . . . . 0.0 110.649 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 679' ' ' GLN . . . . . 0.425 ' HB3' ' NE2' ' A' ' 681' ' ' HIS . 11.8 mm100 -135.84 143.36 44.16 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 120.993 -1.067 . . . . 0.0 110.571 -179.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 680' ' ' PRO . . . . . 0.966 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 2.8 Cg_endo -63.35 92.76 0.16 Allowed 'Trans proline' 0 C--N 1.314 -1.246 0 O-C-N 123.582 1.307 . . . . 0.0 110.228 179.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 681' ' ' HIS . . . . . 0.425 ' NE2' ' HB3' ' A' ' 679' ' ' GLN . 10.5 m-70 -131.0 -166.07 1.65 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.248 -0.908 . . . . 0.0 110.355 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 4.1 m -126.03 118.96 26.42 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.256 -0.903 . . . . 0.0 110.343 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 49.4 m -90.08 140.44 29.65 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.239 -0.913 . . . . 0.0 109.717 179.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . 0.892 HD13 ' N ' ' A' ' 684' ' ' LEU . 0.0 OUTLIER -137.22 -167.67 2.15 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.262 -0.899 . . . . 0.0 110.888 -179.652 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -67.01 82.05 0.11 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.347 -0.846 . . . . 0.0 110.26 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 686' ' ' GLY . . . . . 0.448 ' O ' ' HD2' ' A' ' 689' ' ' PRO . . . 164.87 -31.48 0.24 Allowed Glycine 0 N--CA 1.489 2.223 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 2.3 m0 -86.72 32.89 0.65 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.117 -1.225 . . . . 0.0 110.464 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 688' ' ' GLU . . . . . 0.612 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 2.5 mt-10 -86.31 -45.83 0.57 Allowed Pre-proline 0 N--CA 1.494 1.762 0 O-C-N 121.168 -0.957 . . . . 0.0 110.704 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 689' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.8 Cg_endo -68.41 -6.36 17.37 Favored 'Trans proline' 0 C--N 1.315 -1.186 0 O-C-N 123.21 1.11 . . . . 0.0 110.05 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 690' ' ' SER . . . . . 0.495 ' O ' ' OG ' ' A' ' 690' ' ' SER . 1.3 p 68.72 56.48 0.44 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.439 -0.788 . . . . 0.0 109.81 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -79.56 6.34 10.73 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.23 -0.919 . . . . 0.0 110.569 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 692' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 692' ' ' VAL . 18.3 m -137.89 81.69 27.44 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.071 -1.018 . . . . 0.0 110.521 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.05 -20.99 70.15 Favored 'Trans proline' 0 C--N 1.311 -1.435 0 O-C-N 123.745 1.392 . . . . 0.0 110.534 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -49.87 -37.72 32.36 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.209 -0.932 . . . . 0.0 110.12 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 695' ' ' LEU . . . . . 1.063 HD13 ' N ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -122.68 -12.15 8.13 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.26 -0.9 . . . . 0.0 110.311 -179.917 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 696' ' ' TRP . . . . . 1.063 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.8 OUTLIER -103.66 101.47 11.32 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.002 -1.061 . . . . 0.0 110.024 179.552 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 697' ' ' GLN . . . . . 0.405 ' O ' ' HB2' ' A' ' 676' ' ' LYS . 35.1 tp60 -100.93 97.54 8.12 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.193 -0.942 . . . . 0.0 110.158 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . 0.903 HD13 ' CE1' ' A' ' 675' ' ' TYR . 20.5 tp -75.01 160.26 30.75 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.162 -0.961 . . . . 0.0 110.246 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 699' ' ' GLN . . . . . 0.531 ' N ' ' HG ' ' A' ' 698' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.238 -0.914 . . . . 0.0 110.164 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 656' ' ' TRP . . . . . 0.418 ' NE1' ' OG ' ' A' ' 683' ' ' SER . 67.1 t90 . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.327 0.584 . . . . 0.0 110.222 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -151.98 119.07 5.86 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.254 -0.903 . . . . 0.0 110.013 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 658' ' ' VAL . . . . . . . . . . . . . 3.1 p -50.98 149.87 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.181 -0.949 . . . . 0.0 110.254 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 60.95 52.29 4.21 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.279 -0.888 . . . . 0.0 110.026 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 50.5 m -140.22 139.37 35.61 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.256 -0.903 . . . . 0.0 110.407 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -77.69 143.54 38.03 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.184 -0.948 . . . . 0.0 110.353 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 662' ' ' TYR . . . . . 0.429 ' O ' ' HA ' ' A' ' 680' ' ' PRO . 29.0 m-85 -137.82 148.79 45.79 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.29 -0.881 . . . . 0.0 110.274 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 40.6 p -100.03 178.36 4.82 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.255 -0.903 . . . . 0.0 110.093 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 664' ' ' ALA . . . . . 1.079 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -81.83 131.47 35.26 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.228 -0.92 . . . . 0.0 110.195 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 665' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 85.97 26.93 32.88 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 666' ' ' GLN . . . . . 0.452 ' O ' ' HG ' ' A' ' 667' ' ' LEU . 0.0 OUTLIER -89.14 -178.2 5.61 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.144 -1.209 . . . . 0.0 109.815 179.773 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 667' ' ' LEU . . . . . 0.456 ' HA ' ' HA ' ' A' ' 676' ' ' LYS . 9.1 mt -142.68 99.38 3.47 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.014 -1.054 . . . . 0.0 110.907 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 668' ' ' VAL . . . . . . . . . . . . . 3.4 m -107.02 174.85 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.353 -0.842 . . . . 0.0 109.463 179.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 68.1 p . . . . . 0 N--CA 1.492 1.651 0 O-C-N 120.951 -1.093 . . . . 0.0 110.22 179.729 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 674' ' ' THR . . . . . 0.471 ' HB ' ' HG3' ' A' ' 699' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 121.165 0.507 . . . . 0.0 109.934 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 675' ' ' TYR . . . . . 0.637 ' CE2' ' CB ' ' A' ' 690' ' ' SER . 17.9 m-85 -133.47 164.37 27.29 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.291 -0.88 . . . . 0.0 110.855 -179.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 667' ' ' LEU . 0.0 OUTLIER -141.24 143.02 33.91 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.519 -0.738 . . . . 0.0 109.74 179.584 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 665' ' ' GLY . 4.9 t -87.68 144.22 26.76 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.091 -1.006 . . . . 0.0 109.979 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.405 ' O ' ' HB1' ' A' ' 664' ' ' ALA . 0.0 OUTLIER -109.97 -22.52 11.8 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.229 -0.919 . . . . 0.0 110.231 -179.896 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 679' ' ' GLN . . . . . 0.408 ' HA ' ' HD3' ' A' ' 680' ' ' PRO . 2.1 mt-30 -133.91 143.44 47.47 Favored Pre-proline 0 N--CA 1.493 1.696 0 O-C-N 121.296 -0.878 . . . . 0.0 110.249 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 680' ' ' PRO . . . . . 1.079 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 2.8 Cg_endo -62.99 100.44 0.25 Allowed 'Trans proline' 0 C--N 1.312 -1.386 0 O-C-N 123.562 1.296 . . . . 0.0 110.467 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 681' ' ' HIS . . . . . 0.507 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 7.6 m-70 -139.81 -173.12 3.55 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.209 -0.932 . . . . 0.0 110.059 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 42.3 m -118.25 121.92 41.66 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.135 -0.978 . . . . 0.0 110.26 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 683' ' ' SER . . . . . 0.418 ' OG ' ' NE1' ' A' ' 656' ' ' TRP . 1.2 t -71.3 144.23 50.04 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.266 -0.896 . . . . 0.0 109.883 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . 0.6 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.8 OUTLIER -146.77 -177.17 5.51 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.27 -0.894 . . . . 0.0 110.584 -179.877 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -64.25 73.23 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.391 -0.818 . . . . 0.0 110.241 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 686' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 176.75 -33.23 0.08 OUTLIER Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 37.9 m0 -86.59 33.03 0.64 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.219 -1.165 . . . . 0.0 110.296 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 688' ' ' GLU . . . . . 0.587 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.9 mt-10 -89.62 -48.71 0.39 Allowed Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 121.187 -0.945 . . . . 0.0 110.428 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 689' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.5 Cg_endo -70.46 -4.64 14.9 Favored 'Trans proline' 0 C--N 1.313 -1.291 0 O-C-N 123.242 1.127 . . . . 0.0 109.942 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 690' ' ' SER . . . . . 0.637 ' CB ' ' CE2' ' A' ' 675' ' ' TYR . 0.1 OUTLIER 56.72 44.8 22.99 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.365 -0.835 . . . . 0.0 109.471 -179.295 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 691' ' ' ASN . . . . . 0.632 ' OD1' HG13 ' A' ' 692' ' ' VAL . 14.5 p30 -79.93 6.59 10.85 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.451 -0.781 . . . . 0.0 110.009 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 692' ' ' VAL . . . . . 0.632 HG13 ' OD1' ' A' ' 691' ' ' ASN . 6.7 m -122.8 81.5 49.23 Favored Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.311 -0.868 . . . . 0.0 109.884 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -61.37 -15.58 41.59 Favored 'Trans proline' 0 C--N 1.309 -1.501 0 O-C-N 123.788 1.415 . . . . 0.0 110.277 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -57.6 -27.05 62.38 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.327 -0.858 . . . . 0.0 110.494 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 695' ' ' LEU . . . . . 0.978 ' O ' HD22 ' A' ' 695' ' ' LEU . 0.0 OUTLIER -140.99 5.05 1.91 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.132 -0.98 . . . . 0.0 111.002 179.921 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 696' ' ' TRP . . . . . 0.635 ' N ' HD13 ' A' ' 695' ' ' LEU . 2.1 m95 -129.18 92.94 3.47 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.036 -1.04 . . . . 0.0 110.471 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -100.95 135.22 42.75 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.219 -0.926 . . . . 0.0 109.619 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . 0.687 HD12 ' N ' ' A' ' 699' ' ' GLN . 0.9 OUTLIER -114.12 -172.36 2.08 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.868 -1.145 . . . . 0.0 110.974 -179.373 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 699' ' ' GLN . . . . . 0.687 ' N ' HD12 ' A' ' 698' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.489 -0.757 . . . . 0.0 110.212 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 656' ' ' TRP . . . . . 0.426 ' HA ' ' HB ' ' A' ' 668' ' ' VAL . 52.2 t90 . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 121.238 0.542 . . . . 0.0 110.205 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -122.47 116.43 23.93 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.355 -0.841 . . . . 0.0 110.152 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 658' ' ' VAL . . . . . 0.438 ' H ' HG12 ' A' ' 658' ' ' VAL . 2.8 p -59.13 155.45 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.253 -0.904 . . . . 0.0 110.181 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 48.69 63.27 2.17 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.322 -0.861 . . . . 0.0 109.859 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 660' ' ' THR . . . . . 0.447 ' O ' ' HA ' ' A' ' 682' ' ' THR . 29.8 m -140.32 158.12 44.52 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.319 -0.863 . . . . 0.0 110.403 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -99.18 112.9 24.94 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.328 -0.858 . . . . 0.0 110.236 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -113.86 138.5 50.22 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.237 -0.914 . . . . 0.0 110.166 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 663' ' ' THR . . . . . 0.459 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 60.4 p -100.43 149.35 23.75 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.268 -0.895 . . . . 0.0 110.11 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 664' ' ' ALA . . . . . 0.975 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -42.68 132.95 3.61 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.281 -0.887 . . . . 0.0 110.292 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 92.92 21.33 30.99 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.767 -1.333 . . . . 0.0 109.767 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 666' ' ' GLN . . . . . 0.563 ' CB ' ' HB2' ' A' ' 677' ' ' CYS . 1.1 mm-40 -88.48 -179.64 6.12 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.185 -1.185 . . . . 0.0 109.99 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 667' ' ' LEU . . . . . 0.475 ' HA ' ' HA ' ' A' ' 676' ' ' LYS . 3.3 mt -147.12 116.26 6.92 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.109 -0.994 . . . . 0.0 110.62 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 668' ' ' VAL . . . . . 0.426 ' HB ' ' HA ' ' A' ' 656' ' ' TRP . 3.1 m -124.45 169.37 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.381 -0.824 . . . . 0.0 109.731 179.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.157 -0.964 . . . . 0.0 110.225 179.686 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 674' ' ' THR . . . . . 0.473 ' O ' ' HB2' ' A' ' 698' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.043 0.449 . . . . 0.0 109.853 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 675' ' ' TYR . . . . . 0.604 ' CE2' ' HB3' ' A' ' 698' ' ' LEU . 25.8 m-85 -132.13 160.96 34.48 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.115 -0.991 . . . . 0.0 110.896 -179.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . 0.544 ' CG ' ' HB3' ' A' ' 697' ' ' GLN . 0.5 OUTLIER -140.5 138.53 34.66 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.481 -0.762 . . . . 0.0 109.597 179.303 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . 0.563 ' HB2' ' CB ' ' A' ' 666' ' ' GLN . 0.0 OUTLIER -80.4 133.75 35.93 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.159 -0.963 . . . . 0.0 110.595 -179.495 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' A' ' 695' ' ' LEU . 3.6 mm? -105.47 -21.08 13.29 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.304 -0.873 . . . . 0.0 110.121 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 679' ' ' GLN . . . . . 0.405 ' HB2' ' CD2' ' A' ' 681' ' ' HIS . 38.5 mt-30 -133.35 142.92 45.99 Favored Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.25 -0.906 . . . . 0.0 109.974 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 680' ' ' PRO . . . . . 0.975 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 2.9 Cg_endo -60.35 94.9 0.1 Allowed 'Trans proline' 0 C--N 1.312 -1.389 0 O-C-N 123.583 1.307 . . . . 0.0 110.914 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 681' ' ' HIS . . . . . 0.457 ' HB3' ' CZ3' ' A' ' 687' ' ' TRP . 11.4 m-70 -137.01 163.7 30.11 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.201 -0.937 . . . . 0.0 110.109 179.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 682' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' A' ' 660' ' ' THR . 97.0 m -100.58 128.95 46.47 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.267 -0.896 . . . . 0.0 110.425 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.6 151.61 37.8 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.307 -0.871 . . . . 0.0 110.112 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . 0.709 ' H ' HD23 ' A' ' 684' ' ' LEU . 1.0 OUTLIER -153.37 179.27 8.92 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.324 -0.86 . . . . 0.0 110.421 179.897 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -64.56 69.75 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.24 -0.912 . . . . 0.0 110.165 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 686' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . -178.22 -32.97 0.05 OUTLIER Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 687' ' ' TRP . . . . . 0.457 ' CZ3' ' HB3' ' A' ' 681' ' ' HIS . 36.1 m0 -87.64 35.09 0.71 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.251 -1.147 . . . . 0.0 110.066 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 688' ' ' GLU . . . . . 0.584 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.1 mt-10 -89.84 -48.72 0.39 Allowed Pre-proline 0 N--CA 1.494 1.743 0 O-C-N 121.258 -0.901 . . . . 0.0 110.181 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 689' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.8 Cg_endo -71.73 -5.64 17.48 Favored 'Trans proline' 0 C--N 1.314 -1.283 0 O-C-N 123.217 1.114 . . . . 0.0 109.957 179.573 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 690' ' ' SER . . . . . 0.446 ' HB3' ' CE2' ' A' ' 675' ' ' TYR . 0.7 OUTLIER 64.16 61.54 0.91 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.394 -0.816 . . . . 0.0 110.124 -179.872 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -85.85 14.02 6.56 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.324 -0.86 . . . . 0.0 110.42 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 692' ' ' VAL . . . . . 0.493 HG23 ' CD1' ' A' ' 695' ' ' LEU . 17.9 m -140.05 76.96 26.63 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.041 -1.037 . . . . 0.0 110.547 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -60.84 -20.76 67.92 Favored 'Trans proline' 0 C--N 1.31 -1.488 0 O-C-N 123.594 1.313 . . . . 0.0 110.435 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -55.16 -40.48 70.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.334 -0.854 . . . . 0.0 110.316 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 695' ' ' LEU . . . . . 1.095 HD13 ' N ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -113.94 -14.49 12.45 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.099 -1.001 . . . . 0.0 110.008 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 696' ' ' TRP . . . . . 1.095 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.5 OUTLIER -106.25 99.91 9.47 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.289 -0.882 . . . . 0.0 109.552 179.292 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 697' ' ' GLN . . . . . 0.544 ' HB3' ' CG ' ' A' ' 676' ' ' LYS . 5.1 tp60 -99.45 113.25 25.5 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.17 -0.956 . . . . 0.0 110.126 -179.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . 0.651 HD12 ' N ' ' A' ' 699' ' ' GLN . 0.5 OUTLIER -105.3 -173.66 2.35 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.212 -0.93 . . . . 0.0 110.418 -179.758 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 699' ' ' GLN . . . . . 0.651 ' N ' HD12 ' A' ' 698' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.511 0 O-C-N 121.308 -0.87 . . . . 0.0 110.175 -179.903 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 656' ' ' TRP . . . . . 0.702 ' CH2' HG22 ' A' ' 658' ' ' VAL . 84.4 t90 . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.275 0.56 . . . . 0.0 110.167 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -139.25 158.29 44.42 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.232 -0.918 . . . . 0.0 110.165 179.887 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 658' ' ' VAL . . . . . 0.702 HG22 ' CH2' ' A' ' 656' ' ' TRP . 15.0 t -89.62 148.05 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.296 -0.878 . . . . 0.0 110.439 -179.631 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 62.3 52.46 3.1 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.226 -0.922 . . . . 0.0 110.124 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 92.7 m -133.51 160.53 37.17 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.263 -0.898 . . . . 0.0 110.49 -179.802 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -101.64 131.55 47.81 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.246 -0.909 . . . . 0.0 110.132 179.787 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -126.63 151.89 47.41 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.2 -0.937 . . . . 0.0 110.314 -179.787 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 33.9 p -104.08 172.56 6.73 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.292 -0.88 . . . . 0.0 109.916 179.82 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 664' ' ' ALA . . . . . 0.887 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -70.65 127.02 31.26 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.256 -0.902 . . . . 0.0 110.416 -179.808 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 665' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 94.28 27.54 11.88 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 179.736 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 666' ' ' GLN . . . . . 0.536 ' CB ' ' HB2' ' A' ' 677' ' ' CYS . 0.0 OUTLIER -90.7 172.17 8.85 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.244 -1.151 . . . . 0.0 110.483 -179.896 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 667' ' ' LEU . . . . . 0.68 HD21 ' HE3' ' A' ' 676' ' ' LYS . 1.6 mt -132.46 116.41 16.75 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.386 -0.821 . . . . 0.0 109.811 179.622 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 668' ' ' VAL . . . . . 0.46 ' HB ' ' HB2' ' A' ' 656' ' ' TRP . 2.4 m -123.22 164.68 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.037 -1.039 . . . . 0.0 110.384 -179.718 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 669' ' ' THR . . . . . 0.831 ' CG2' HG23 ' A' ' 674' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.246 -0.908 . . . . 0.0 110.104 179.671 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 674' ' ' THR . . . . . 0.831 HG23 ' CG2' ' A' ' 669' ' ' THR . 1.5 m . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.106 0.479 . . . . 0.0 109.855 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 675' ' ' TYR . . . . . 0.797 ' CZ ' HD13 ' A' ' 698' ' ' LEU . 52.8 m-85 -122.39 -179.08 4.07 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.102 -0.998 . . . . 0.0 110.534 -179.899 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . 0.68 ' HE3' HD21 ' A' ' 667' ' ' LEU . 0.5 OUTLIER -140.48 113.1 8.06 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.343 -0.848 . . . . 0.0 110.39 -179.745 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . 0.536 ' HB2' ' CB ' ' A' ' 666' ' ' GLN . 0.1 OUTLIER -61.09 133.12 55.71 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.153 -0.967 . . . . 0.0 109.821 179.579 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.563 ' O ' HD23 ' A' ' 678' ' ' LEU . 0.9 OUTLIER -110.29 -18.49 13.26 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.293 -0.879 . . . . 0.0 110.426 -179.676 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 679' ' ' GLN . . . . . 0.425 ' HA ' ' HB2' ' A' ' 664' ' ' ALA . 0.5 OUTLIER -144.36 149.92 46.23 Favored Pre-proline 0 N--CA 1.49 1.551 0 O-C-N 121.241 -0.912 . . . . 0.0 110.422 -179.704 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 680' ' ' PRO . . . . . 0.887 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.3 Cg_exo -58.04 105.72 0.22 Allowed 'Trans proline' 0 C--N 1.312 -1.394 0 O-C-N 123.724 1.381 . . . . 0.0 110.642 179.758 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 681' ' ' HIS . . . . . 0.444 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 9.9 m80 -146.16 167.79 22.57 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.224 -0.923 . . . . 0.0 110.249 -179.884 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 54.9 m -106.18 126.98 52.88 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.254 -0.904 . . . . 0.0 110.39 -179.802 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 35.3 p -78.91 145.35 34.14 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.28 -0.888 . . . . 0.0 109.972 179.716 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . 0.667 ' H ' HD23 ' A' ' 684' ' ' LEU . 1.1 pt? -146.03 171.49 14.8 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.256 -0.902 . . . . 0.0 110.756 -179.778 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 685' ' ' ALA . . . . . 0.419 ' N ' HG13 ' A' ' 658' ' ' VAL . . . -63.15 75.51 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.314 -0.866 . . . . 0.0 110.135 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 686' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 173.72 -32.48 0.11 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.252 -1.539 . . . . 0.0 109.252 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 18.1 m0 -89.09 38.19 0.88 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.327 -1.102 . . . . 0.0 109.903 179.86 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 688' ' ' GLU . . . . . 0.607 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.7 mt-10 -87.98 -47.34 0.46 Allowed Pre-proline 0 N--CA 1.496 1.847 0 O-C-N 121.429 -0.794 . . . . 0.0 110.694 -179.878 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 689' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.8 Cg_endo -69.63 -3.51 12.08 Favored 'Trans proline' 0 C--N 1.316 -1.175 0 O-C-N 123.235 1.124 . . . . 0.0 110.467 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 690' ' ' SER . . . . . 0.583 ' HB3' ' CE2' ' A' ' 675' ' ' TYR . 1.5 p 64.3 56.28 1.34 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.303 -0.873 . . . . 0.0 109.703 -179.612 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -81.92 13.67 3.17 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.286 -0.884 . . . . 0.0 110.855 -179.372 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 692' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 692' ' ' VAL . 17.2 m -140.15 83.11 16.12 Favored Pre-proline 0 N--CA 1.494 1.727 0 O-C-N 120.97 -1.081 . . . . 0.0 110.529 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.11 -12.6 23.73 Favored 'Trans proline' 0 C--N 1.31 -1.473 0 O-C-N 123.654 1.344 . . . . 0.0 110.379 179.9 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -58.55 -39.39 80.08 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.318 -0.864 . . . . 0.0 110.457 -179.885 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 695' ' ' LEU . . . . . 1.057 HD13 ' N ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -123.46 -11.5 7.85 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.238 -0.914 . . . . 0.0 110.211 -179.793 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 696' ' ' TRP . . . . . 1.057 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.4 OUTLIER -103.9 108.16 19.36 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.224 -0.923 . . . . 0.0 110.153 179.512 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 697' ' ' GLN . . . . . 0.477 ' O ' ' HB2' ' A' ' 676' ' ' LYS . 5.7 tt0 -99.94 93.92 6.02 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.156 -0.965 . . . . 0.0 109.82 179.828 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . 0.797 HD13 ' CZ ' ' A' ' 675' ' ' TYR . 19.9 tp -70.49 154.21 42.12 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.185 -0.947 . . . . 0.0 110.426 -179.553 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 699' ' ' GLN . . . . . 0.422 ' N ' ' HG ' ' A' ' 698' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.351 -0.843 . . . . 0.0 110.283 -179.91 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 656' ' ' TRP . . . . . 0.405 ' CH2' ' OE1' ' A' ' 688' ' ' GLU . 55.3 t90 . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 121.253 0.549 . . . . 0.0 109.939 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -107.5 142.77 36.85 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.26 -0.9 . . . . 0.0 110.456 -179.671 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 658' ' ' VAL . . . . . 0.402 ' O ' ' HB2' ' A' ' 659' ' ' ASN . 8.5 p -79.19 154.02 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.248 -0.908 . . . . 0.0 110.246 179.937 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 659' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' A' ' 658' ' ' VAL . 3.2 m120 55.78 55.39 7.13 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.238 -0.914 . . . . 0.0 109.779 -179.75 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 21.9 m -139.92 154.55 47.27 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.311 -0.868 . . . . 0.0 110.332 -179.475 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -97.85 122.81 41.41 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.32 -0.862 . . . . 0.0 110.164 179.861 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -112.68 167.78 10.2 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.328 -0.857 . . . . 0.0 110.22 179.865 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.92 -172.7 2.13 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.359 -0.838 . . . . 0.0 110.114 179.828 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 664' ' ' ALA . . . . . 0.718 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -81.4 151.07 28.09 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.208 -0.933 . . . . 0.0 110.572 -179.526 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 665' ' ' GLY . . . . . 0.421 ' CA ' ' O ' ' A' ' 677' ' ' CYS . . . 55.3 34.92 59.65 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 179.878 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 666' ' ' GLN . . . . . 0.513 ' O ' ' HA ' ' A' ' 676' ' ' LYS . 0.0 OUTLIER -85.4 175.19 9.01 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.294 -1.121 . . . . 0.0 110.308 179.923 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 667' ' ' LEU . . . . . 0.763 HD13 ' C ' ' A' ' 667' ' ' LEU . 3.0 tm? -130.52 117.56 19.79 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.266 -0.896 . . . . 0.0 110.34 -179.828 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 668' ' ' VAL . . . . . 0.436 ' CG2' ' HB2' ' A' ' 675' ' ' TYR . 3.2 m -129.98 177.47 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.223 -0.923 . . . . 0.0 110.214 179.947 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.493 1.713 0 O-C-N 121.166 -0.959 . . . . 0.0 109.985 179.769 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 674' ' ' THR . . . . . 0.557 ' O ' HD12 ' A' ' 698' ' ' LEU . 12.0 m . . . . . 0 N--CA 1.489 1.518 0 CA-C-O 121.195 0.521 . . . . 0.0 109.682 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 675' ' ' TYR . . . . . 0.775 ' CZ ' HD13 ' A' ' 698' ' ' LEU . 19.7 m-85 -125.08 170.98 10.65 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.213 -0.93 . . . . 0.0 110.599 -179.475 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . 0.513 ' HA ' ' O ' ' A' ' 666' ' ' GLN . 0.3 OUTLIER -140.37 103.4 4.56 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.372 -0.83 . . . . 0.0 110.014 -179.802 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . 0.507 ' HB3' ' HB2' ' A' ' 666' ' ' GLN . 0.1 OUTLIER -52.08 148.08 6.63 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.224 -0.922 . . . . 0.0 110.258 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.578 HD23 ' OE1' ' A' ' 679' ' ' GLN . 0.8 OUTLIER -119.65 -8.19 9.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.24 -0.913 . . . . 0.0 110.097 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 679' ' ' GLN . . . . . 0.578 ' OE1' HD23 ' A' ' 678' ' ' LEU . 0.1 OUTLIER -160.0 154.53 20.47 Favored Pre-proline 0 N--CA 1.49 1.552 0 O-C-N 121.187 -0.945 . . . . 0.0 110.464 179.93 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 680' ' ' PRO . . . . . 0.718 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.2 Cg_exo -60.63 116.21 3.19 Favored 'Trans proline' 0 C--N 1.312 -1.38 0 O-C-N 123.825 1.434 . . . . 0.0 110.981 -179.932 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 681' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 680' ' ' PRO . 51.0 m-70 -156.93 177.05 11.95 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.215 -0.928 . . . . 0.0 110.398 179.711 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 682' ' ' THR . . . . . 0.428 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 22.7 m -116.26 121.49 42.16 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.232 -0.918 . . . . 0.0 110.593 -179.591 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 1.4 m -79.38 143.34 35.18 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.222 -0.924 . . . . 0.0 110.036 179.769 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . 0.58 ' O ' HD23 ' A' ' 684' ' ' LEU . 0.5 OUTLIER -149.24 -177.47 5.85 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.263 -0.898 . . . . 0.0 110.507 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -60.25 85.63 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.331 -0.856 . . . . 0.0 110.167 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 686' ' ' GLY . . . . . 0.451 ' O ' ' HD2' ' A' ' 689' ' ' PRO . . . 158.81 -36.51 0.5 Allowed Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.764 -1.334 . . . . 0.0 109.764 179.899 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 687' ' ' TRP . . . . . 0.428 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 34.3 m0 -85.75 31.88 0.6 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.147 -1.208 . . . . 0.0 110.671 -179.696 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 688' ' ' GLU . . . . . 0.598 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 0.6 OUTLIER -87.55 -48.01 0.47 Allowed Pre-proline 0 N--CA 1.494 1.748 0 O-C-N 121.052 -1.03 . . . . 0.0 110.477 179.976 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 689' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.9 Cg_endo -69.97 -5.6 16.73 Favored 'Trans proline' 0 C--N 1.314 -1.288 0 O-C-N 123.264 1.139 . . . . 0.0 110.239 179.756 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 690' ' ' SER . . . . . 0.5 ' O ' ' OG ' ' A' ' 690' ' ' SER . 1.5 p 68.22 61.04 0.4 Allowed 'General case' 0 N--CA 1.495 1.786 0 CA-C-O 121.671 0.748 . . . . 0.0 110.219 -179.775 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -81.79 0.35 39.62 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.045 -1.034 . . . . 0.0 110.714 -179.861 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 692' ' ' VAL . . . . . 0.487 ' O ' ' HB2' ' A' ' 696' ' ' TRP . 6.6 m -128.97 83.07 67.35 Favored Pre-proline 0 N--CA 1.493 1.7 0 O-C-N 121.04 -1.037 . . . . 0.0 110.426 -179.66 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -59.48 -26.26 81.39 Favored 'Trans proline' 0 C--N 1.31 -1.468 0 O-C-N 123.736 1.387 . . . . 0.0 110.681 -179.869 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -50.81 -40.04 54.56 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.306 -0.871 . . . . 0.0 110.444 -179.838 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 695' ' ' LEU . . . . . 1.051 HD13 ' N ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -120.57 -11.79 9.02 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.098 -1.001 . . . . 0.0 110.886 -179.691 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 696' ' ' TRP . . . . . 1.051 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.3 OUTLIER -110.11 109.0 19.37 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.973 -1.079 . . . . 0.0 110.058 179.407 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 697' ' ' GLN . . . . . 0.423 ' HG3' ' N ' ' A' ' 698' ' ' LEU . 6.8 tp60 -100.02 156.81 16.96 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.263 -0.898 . . . . 0.0 109.752 179.809 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . 0.775 HD13 ' CZ ' ' A' ' 675' ' ' TYR . 19.1 tp -128.33 153.62 46.83 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.081 -1.012 . . . . 0.0 110.325 -179.756 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 699' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' ' 698' ' ' LEU . 19.2 mt-30 . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.478 -0.764 . . . . 0.0 110.275 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 656' ' ' TRP . . . . . 0.67 ' CH2' HG12 ' A' ' 658' ' ' VAL . 91.6 t90 . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.239 0.542 . . . . 0.0 110.221 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -139.61 140.2 36.93 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.181 -0.949 . . . . 0.0 110.242 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 658' ' ' VAL . . . . . 0.67 HG12 ' CH2' ' A' ' 656' ' ' TRP . 24.7 m -70.79 164.55 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.296 -0.878 . . . . 0.0 110.056 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 659' ' ' ASN . . . . . 0.407 ' O ' ' CG ' ' A' ' 659' ' ' ASN . 21.1 t30 48.99 45.12 22.87 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.291 -0.881 . . . . 0.0 109.707 -179.741 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 23.0 m -138.91 122.51 17.4 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.37 -0.831 . . . . 0.0 110.321 -179.796 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . 0.479 ' HA ' ' HA ' ' A' ' 682' ' ' THR . . . -75.31 137.01 40.86 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.273 -0.892 . . . . 0.0 110.203 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 662' ' ' TYR . . . . . 0.518 ' O ' ' HA ' ' A' ' 680' ' ' PRO . 16.3 m-85 -121.96 162.93 20.2 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.245 -0.909 . . . . 0.0 110.199 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 663' ' ' THR . . . . . 0.425 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 12.1 p -107.04 -171.21 1.84 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.164 -0.96 . . . . 0.0 110.264 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 664' ' ' ALA . . . . . 0.821 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -83.22 157.14 22.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.192 -0.943 . . . . 0.0 110.192 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 665' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 55.4 22.39 30.63 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 179.917 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 666' ' ' GLN . . . . . 0.469 ' HB3' ' CB ' ' A' ' 677' ' ' CYS . 9.8 tp-100 -79.39 171.12 15.6 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.182 -1.187 . . . . 0.0 110.085 179.895 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.17 126.41 40.99 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.219 -0.926 . . . . 0.0 110.392 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 668' ' ' VAL . . . . . . . . . . . . . 2.2 m -139.29 163.3 26.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.27 -0.893 . . . . 0.0 109.913 179.902 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 3.1 p . . . . . 0 N--CA 1.49 1.561 0 O-C-N 121.119 -0.988 . . . . 0.0 110.072 179.525 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 674' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 675' ' ' TYR . . . . . 0.479 ' HA ' ' HA ' ' A' ' 698' ' ' LEU . 16.9 m-85 -145.29 157.42 44.06 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.957 -1.089 . . . . 0.0 111.064 -179.511 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . 0.48 ' HD3' ' NE2' ' A' ' 699' ' ' GLN . 0.0 OUTLIER -140.33 118.9 12.29 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.531 -0.731 . . . . 0.0 109.777 179.885 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . 0.479 ' O ' ' N ' ' A' ' 665' ' ' GLY . 0.6 OUTLIER -70.7 144.04 51.13 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.182 -0.949 . . . . 0.0 110.543 -179.616 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.539 ' O ' ' HB1' ' A' ' 664' ' ' ALA . 4.3 mp -108.66 -31.06 7.9 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.167 -0.958 . . . . 0.0 110.06 179.758 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 679' ' ' GLN . . . . . 0.44 ' HB3' ' NE2' ' A' ' 681' ' ' HIS . 0.0 OUTLIER -129.65 142.44 45.3 Favored Pre-proline 0 N--CA 1.492 1.659 0 O-C-N 121.259 -0.9 . . . . 0.0 110.191 -179.997 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 680' ' ' PRO . . . . . 0.821 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.1 Cg_exo -60.88 107.39 0.44 Allowed 'Trans proline' 0 C--N 1.313 -1.294 0 O-C-N 123.46 1.242 . . . . 0.0 110.968 -179.905 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 681' ' ' HIS . . . . . 0.524 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 9.1 m-70 -139.1 -158.27 0.84 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.229 -0.919 . . . . 0.0 110.04 179.664 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 682' ' ' THR . . . . . 0.479 ' HA ' ' HA ' ' A' ' 661' ' ' ALA . 6.3 m -124.86 133.99 52.88 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.093 -1.005 . . . . 0.0 110.901 -179.478 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 683' ' ' SER . . . . . 0.518 ' HG ' ' HE1' ' A' ' 656' ' ' TRP . 0.5 OUTLIER -90.48 140.36 29.81 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.318 -0.864 . . . . 0.0 109.649 179.368 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . 0.683 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.8 OUTLIER -155.93 179.31 9.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.258 -0.901 . . . . 0.0 110.67 -179.837 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -65.33 71.59 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.399 -0.813 . . . . 0.0 109.998 179.889 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 686' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . -178.2 -33.49 0.05 OUTLIER Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.199 -1.56 . . . . 0.0 109.199 -179.868 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 687' ' ' TRP . . . . . 0.429 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 38.0 m0 -88.53 37.29 0.82 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.286 -1.126 . . . . 0.0 109.97 179.767 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 688' ' ' GLU . . . . . 0.587 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 2.1 mt-10 -90.27 -47.92 0.38 Allowed Pre-proline 0 N--CA 1.495 1.798 0 O-C-N 121.37 -0.831 . . . . 0.0 110.951 -179.49 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 689' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.6 Cg_endo -70.01 -3.51 12.33 Favored 'Trans proline' 0 C--N 1.315 -1.198 0 O-C-N 123.199 1.105 . . . . 0.0 110.201 -179.908 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 690' ' ' SER . . . . . . . . . . . . . 5.0 p 56.25 46.43 21.26 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.28 -0.888 . . . . 0.0 109.654 -179.223 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 691' ' ' ASN . . . . . 0.58 ' OD1' HG13 ' A' ' 692' ' ' VAL . 8.9 p30 -79.72 10.86 3.6 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.246 -0.909 . . . . 0.0 110.728 -179.754 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 692' ' ' VAL . . . . . 0.58 HG13 ' OD1' ' A' ' 691' ' ' ASN . 11.9 m -130.66 80.25 70.35 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.125 -0.984 . . . . 0.0 110.086 179.741 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -60.85 -19.72 63.25 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.773 1.407 . . . . 0.0 110.648 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -54.93 -28.89 54.51 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.217 -0.927 . . . . 0.0 110.275 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 695' ' ' LEU . . . . . 1.046 ' O ' HD22 ' A' ' 695' ' ' LEU . 0.0 OUTLIER -136.12 -4.5 2.16 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.172 -0.955 . . . . 0.0 111.007 -179.69 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 696' ' ' TRP . . . . . 0.959 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.7 OUTLIER -120.4 120.97 37.5 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.928 -1.108 . . . . 0.0 110.854 -179.976 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 697' ' ' GLN . . . . . 0.526 ' HG2' ' N ' ' A' ' 698' ' ' LEU . 29.0 tt0 -116.43 157.83 24.5 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.396 -0.815 . . . . 0.0 109.179 179.196 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . 0.686 HD12 ' N ' ' A' ' 699' ' ' GLN . 1.0 OUTLIER -140.57 164.84 29.08 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.909 -1.119 . . . . 0.0 110.61 -179.973 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 699' ' ' GLN . . . . . 0.686 ' N ' HD12 ' A' ' 698' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.493 1.704 0 O-C-N 121.496 -0.752 . . . . 0.0 110.054 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 656' ' ' TRP . . . . . 0.476 ' CZ2' ' HB2' ' A' ' 683' ' ' SER . 89.5 t90 . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.18 0.514 . . . . 0.0 109.859 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -137.13 153.27 50.54 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.132 -0.98 . . . . 0.0 110.443 -179.836 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 658' ' ' VAL . . . . . 0.447 HG22 ' CH2' ' A' ' 656' ' ' TRP . 18.4 t -78.17 154.94 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.297 -0.877 . . . . 0.0 110.029 179.771 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 57.93 53.36 6.95 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.22 -0.925 . . . . 0.0 110.124 -179.785 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 16.5 m -140.19 131.48 26.66 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.306 -0.871 . . . . 0.0 110.296 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -77.58 124.52 28.03 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.274 -0.891 . . . . 0.0 110.239 179.941 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -114.97 163.16 15.98 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.288 -0.882 . . . . 0.0 110.228 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 663' ' ' THR . . . . . 0.429 ' O ' ' HB3' ' A' ' 677' ' ' CYS . 0.0 OUTLIER -109.69 -172.47 2.05 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.24 -0.912 . . . . 0.0 110.027 179.905 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 664' ' ' ALA . . . . . 0.908 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -83.49 160.24 21.55 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.157 -0.964 . . . . 0.0 110.444 -179.667 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 665' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 50.67 28.55 16.05 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.69 -1.364 . . . . 0.0 109.69 179.888 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 666' ' ' GLN . . . . . 0.427 ' O ' ' HA ' ' A' ' 676' ' ' LYS . 0.5 OUTLIER -84.01 176.03 9.12 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.222 -1.163 . . . . 0.0 110.038 179.893 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 667' ' ' LEU . . . . . 0.465 HD13 ' O ' ' A' ' 675' ' ' TYR . 0.2 OUTLIER -136.74 111.14 8.51 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.195 -0.94 . . . . 0.0 110.74 -179.746 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 668' ' ' VAL . . . . . . . . . . . . . 2.4 m -120.33 173.71 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.315 -0.866 . . . . 0.0 109.343 179.537 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.493 1.71 0 O-C-N 120.811 -1.181 . . . . 0.0 110.183 179.663 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 674' ' ' THR . . . . . 0.468 ' O ' ' HB2' ' A' ' 698' ' ' LEU . 26.2 m . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 675' ' ' TYR . . . . . 0.926 ' CZ ' HD22 ' A' ' 698' ' ' LEU . 8.1 m-85 -119.65 159.72 23.89 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.151 -0.968 . . . . 0.0 111.576 -178.822 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . 0.46 ' HB3' ' O ' ' A' ' 697' ' ' GLN . 1.5 tmtt? -139.69 113.93 9.0 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.468 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 665' ' ' GLY . 0.0 OUTLIER -64.45 144.63 57.04 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.216 -0.928 . . . . 0.0 110.604 -179.447 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.671 ' O ' HD23 ' A' ' 678' ' ' LEU . 2.9 tt -112.29 -17.03 12.84 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.357 -0.839 . . . . 0.0 109.932 179.889 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 679' ' ' GLN . . . . . 0.538 ' HB3' ' NE2' ' A' ' 681' ' ' HIS . 0.7 OUTLIER -145.6 149.17 39.37 Favored Pre-proline 0 N--CA 1.489 1.501 0 O-C-N 121.24 -0.912 . . . . 0.0 110.33 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 680' ' ' PRO . . . . . 0.908 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.2 Cg_exo -60.82 114.08 2.0 Allowed 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.752 1.396 . . . . 0.0 111.162 -179.889 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 681' ' ' HIS . . . . . 0.543 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 40.8 m-70 -149.02 -160.64 1.2 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.303 -0.873 . . . . 0.0 110.15 179.343 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 682' ' ' THR . . . . . 0.462 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 17.4 m -138.01 123.74 19.88 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.188 -0.945 . . . . 0.0 110.39 -179.775 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 683' ' ' SER . . . . . 0.476 ' HB2' ' CZ2' ' A' ' 656' ' ' TRP . 83.7 p -71.05 141.83 50.89 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.269 -0.895 . . . . 0.0 110.034 179.847 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . 0.604 ' H ' HD23 ' A' ' 684' ' ' LEU . 1.0 OUTLIER -141.12 175.63 9.48 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.317 -0.864 . . . . 0.0 110.188 179.897 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -66.86 79.92 0.11 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.191 -0.943 . . . . 0.0 110.053 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 686' ' ' GLY . . . . . 0.44 ' O ' ' HD2' ' A' ' 689' ' ' PRO . . . 162.92 -23.05 0.19 Allowed Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 -179.904 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 687' ' ' TRP . . . . . 0.543 ' CG ' ' CD2' ' A' ' 684' ' ' LEU . 16.8 m0 -86.67 32.83 0.65 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.146 -1.208 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 688' ' ' GLU . . . . . 0.597 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 2.2 mt-10 -88.55 -47.17 0.44 Allowed Pre-proline 0 N--CA 1.495 1.821 0 O-C-N 121.196 -0.94 . . . . 0.0 110.659 -179.795 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 689' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.7 Cg_endo -70.56 -2.96 11.59 Favored 'Trans proline' 0 C--N 1.315 -1.206 0 O-C-N 123.2 1.105 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 690' ' ' SER . . . . . 0.492 ' O ' ' OG ' ' A' ' 690' ' ' SER . 1.7 p 64.82 59.11 0.92 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.43 -0.794 . . . . 0.0 110.031 -179.622 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 691' ' ' ASN . . . . . 0.405 ' H ' ' ND2' ' A' ' 691' ' ' ASN . 5.1 m-80 -79.5 5.89 11.75 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.164 -0.96 . . . . 0.0 110.419 -179.807 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 692' ' ' VAL . . . . . 0.509 HG23 ' CD1' ' A' ' 695' ' ' LEU . 17.6 m -135.91 76.76 51.97 Favored Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.149 -0.969 . . . . 0.0 110.161 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -60.47 -16.9 44.87 Favored 'Trans proline' 0 C--N 1.312 -1.382 0 O-C-N 123.631 1.332 . . . . 0.0 110.41 -179.91 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -59.36 -41.65 89.77 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.197 -0.939 . . . . 0.0 110.084 179.918 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 695' ' ' LEU . . . . . 1.092 HD13 ' N ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -114.09 -15.31 12.28 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.268 -0.895 . . . . 0.0 110.268 -179.895 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 696' ' ' TRP . . . . . 1.092 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.1 OUTLIER -104.99 92.07 4.07 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.181 -0.95 . . . . 0.0 110.018 179.723 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 697' ' ' GLN . . . . . 0.46 ' O ' ' HB3' ' A' ' 676' ' ' LYS . 1.1 tt0 -106.7 102.35 11.73 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.137 -0.977 . . . . 0.0 109.904 179.876 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . 0.926 HD22 ' CZ ' ' A' ' 675' ' ' TYR . 0.7 OUTLIER -97.22 -163.82 1.08 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.233 -0.917 . . . . 0.0 110.522 -179.618 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 699' ' ' GLN . . . . . 0.62 ' N ' HD12 ' A' ' 698' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.373 -0.83 . . . . 0.0 110.05 -179.915 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 656' ' ' TRP . . . . . 0.586 ' CZ2' ' HB3' ' A' ' 683' ' ' SER . 91.1 t90 . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.24 0.543 . . . . 0.0 110.253 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -130.73 149.11 52.53 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.283 -0.886 . . . . 0.0 110.146 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 658' ' ' VAL . . . . . 0.428 ' O ' ' HB2' ' A' ' 659' ' ' ASN . 4.0 p -72.79 153.35 7.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.219 -0.926 . . . . 0.0 110.158 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 659' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' A' ' 658' ' ' VAL . 1.3 m-80 59.19 47.97 10.99 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.28 -0.887 . . . . 0.0 109.949 -179.809 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 96.1 m -132.15 147.1 52.41 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.238 -0.914 . . . . 0.0 110.312 -179.856 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -96.52 127.18 42.27 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.324 -0.86 . . . . 0.0 110.215 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 662' ' ' TYR . . . . . 0.509 ' HD2' ' HG ' ' A' ' 683' ' ' SER . 15.4 m-85 -118.94 150.82 39.26 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.165 -0.96 . . . . 0.0 110.237 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 66.2 p -99.72 178.52 4.81 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.294 -0.879 . . . . 0.0 110.092 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 664' ' ' ALA . . . . . 0.97 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -75.85 143.11 41.98 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.212 -0.93 . . . . 0.0 110.109 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 665' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 76.49 20.0 77.37 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 179.939 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -84.51 174.07 10.32 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.267 -1.137 . . . . 0.0 110.106 179.914 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -138.43 99.19 3.77 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.032 -1.043 . . . . 0.0 110.704 -179.694 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 668' ' ' VAL . . . . . 0.445 ' HB ' ' HB2' ' A' ' 656' ' ' TRP . 2.7 m -102.97 170.05 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.201 -0.937 . . . . 0.0 109.674 179.253 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 9.5 p . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.069 -1.019 . . . . 0.0 110.246 179.986 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 674' ' ' THR . . . . . . . . . . . . . 11.8 m . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 675' ' ' TYR . . . . . 0.583 ' CE2' ' HB3' ' A' ' 698' ' ' LEU . 25.3 m-85 -130.33 159.21 37.65 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.075 -1.015 . . . . 0.0 110.833 -179.532 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 697' ' ' GLN . 8.9 ptmt -140.37 138.82 35.12 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.38 -0.825 . . . . 0.0 109.978 179.929 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 665' ' ' GLY . 1.8 t -89.5 137.87 31.95 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.318 -0.864 . . . . 0.0 110.213 -179.843 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.428 ' C ' ' HG3' ' A' ' 679' ' ' GLN . 0.1 OUTLIER -107.37 -13.3 15.14 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.263 -0.898 . . . . 0.0 110.155 179.899 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 679' ' ' GLN . . . . . 0.471 ' HB3' ' NE2' ' A' ' 681' ' ' HIS . 37.3 mt-30 -142.21 141.26 20.85 Favored Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.289 -0.882 . . . . 0.0 109.872 179.794 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 680' ' ' PRO . . . . . 0.97 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.1 Cg_exo -59.8 108.93 0.52 Allowed 'Trans proline' 0 C--N 1.313 -1.337 0 O-C-N 123.547 1.288 . . . . 0.0 110.698 179.898 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 681' ' ' HIS . . . . . 0.503 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 56.2 m-70 -146.93 -172.71 4.05 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.421 -0.8 . . . . 0.0 109.95 179.766 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 682' ' ' THR . . . . . 0.482 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 82.0 m -117.46 129.01 55.56 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.11 -0.994 . . . . 0.0 110.688 -179.762 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 683' ' ' SER . . . . . 0.586 ' HB3' ' CZ2' ' A' ' 656' ' ' TRP . 43.3 m -87.15 142.1 28.16 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.357 -0.84 . . . . 0.0 109.791 179.645 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . 0.638 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.7 OUTLIER -149.02 -178.7 6.52 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.204 -0.935 . . . . 0.0 110.696 -179.798 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -63.98 70.48 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.376 -0.828 . . . . 0.0 110.062 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 686' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . -177.31 -37.3 0.06 OUTLIER Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.1 -1.6 . . . . 0.0 109.1 -179.915 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 687' ' ' TRP . . . . . 0.482 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 41.5 m0 -87.24 32.98 0.68 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.292 -1.122 . . . . 0.0 110.129 179.798 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 688' ' ' GLU . . . . . 0.606 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 2.9 mt-10 -87.62 -47.19 0.48 Allowed Pre-proline 0 N--CA 1.494 1.759 0 O-C-N 121.259 -0.901 . . . . 0.0 110.613 -179.886 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 689' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.5 Cg_endo -69.94 -4.27 13.81 Favored 'Trans proline' 0 C--N 1.315 -1.219 0 O-C-N 123.229 1.12 . . . . 0.0 109.961 179.616 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 690' ' ' SER . . . . . 0.402 ' CB ' ' CE2' ' A' ' 675' ' ' TYR . 3.5 p 60.26 47.85 8.72 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.385 -0.822 . . . . 0.0 110.005 -179.477 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 691' ' ' ASN . . . . . 0.689 ' OD1' HG13 ' A' ' 692' ' ' VAL . 7.3 p30 -79.31 1.54 24.66 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.215 -0.928 . . . . 0.0 109.951 179.924 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 692' ' ' VAL . . . . . 0.689 HG13 ' OD1' ' A' ' 691' ' ' ASN . 20.3 m -123.3 71.43 45.71 Favored Pre-proline 0 N--CA 1.49 1.546 0 O-C-N 121.362 -0.836 . . . . 0.0 109.752 179.741 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 693' ' ' PRO . . . . . 0.41 ' HD3' ' C ' ' A' ' 691' ' ' ASN . 3.3 Cg_exo -57.72 -13.83 15.58 Favored 'Trans proline' 0 C--N 1.311 -1.396 0 O-C-N 123.75 1.395 . . . . 0.0 110.857 -179.622 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -54.34 -34.13 60.43 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.158 -0.964 . . . . 0.0 109.962 179.792 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 695' ' ' LEU . . . . . 1.053 ' O ' HD22 ' A' ' 695' ' ' LEU . 0.0 OUTLIER -129.64 -7.48 4.6 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.197 -0.94 . . . . 0.0 110.532 -179.933 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 696' ' ' TRP . . . . . 1.0 ' N ' HD13 ' A' ' 695' ' ' LEU . 1.7 m95 -111.28 95.4 5.5 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.105 -0.997 . . . . 0.0 110.362 179.718 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 697' ' ' GLN . . . . . 0.465 ' O ' ' HG2' ' A' ' 676' ' ' LYS . 0.1 OUTLIER -101.98 111.47 23.76 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.24 -0.912 . . . . 0.0 109.882 179.731 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . 0.681 HD12 ' N ' ' A' ' 699' ' ' GLN . 0.9 OUTLIER -88.07 -175.77 5.19 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.023 -1.048 . . . . 0.0 110.69 -179.515 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 699' ' ' GLN . . . . . 0.681 ' N ' HD12 ' A' ' 698' ' ' LEU . 8.6 pt20 . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.45 -0.781 . . . . 0.0 110.271 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 656' ' ' TRP . . . . . 0.942 ' CH2' HG22 ' A' ' 658' ' ' VAL . 61.1 t90 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.368 0.604 . . . . 0.0 110.351 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -134.14 145.87 49.69 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.261 -0.899 . . . . 0.0 110.025 179.916 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 658' ' ' VAL . . . . . 0.942 HG22 ' CH2' ' A' ' 656' ' ' TRP . 10.9 t -77.51 145.91 9.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.178 -0.951 . . . . 0.0 110.364 -179.916 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 659' ' ' ASN . . . . . 0.419 ' CB ' ' O ' ' A' ' 658' ' ' VAL . 0.7 OUTLIER 64.18 59.03 1.09 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.163 -0.96 . . . . 0.0 110.189 -179.979 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 5.3 m -139.17 164.86 28.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.191 -0.943 . . . . 0.0 110.45 -179.902 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -108.2 120.51 42.56 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.325 -0.859 . . . . 0.0 110.144 -179.953 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 662' ' ' TYR . . . . . 0.426 ' O ' ' HA ' ' A' ' 680' ' ' PRO . 26.1 m-85 -117.86 147.51 43.01 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.206 -0.934 . . . . 0.0 110.091 179.919 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 663' ' ' THR . . . . . 0.459 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 59.3 p -99.68 171.43 7.91 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.231 -0.918 . . . . 0.0 109.942 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 664' ' ' ALA . . . . . 0.902 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -65.95 138.32 57.75 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.171 -0.956 . . . . 0.0 109.944 179.893 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 665' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 81.16 27.4 49.31 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.275 -1.53 . . . . 0.0 109.275 -179.618 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 666' ' ' GLN . . . . . 0.498 ' HB3' ' HB2' ' A' ' 677' ' ' CYS . 5.3 tp-100 -87.17 173.02 9.48 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.29 -1.123 . . . . 0.0 110.082 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.39 102.12 4.7 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.22 -0.925 . . . . 0.0 110.794 -179.872 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 668' ' ' VAL . . . . . 0.478 HG11 ' HH2' ' A' ' 696' ' ' TRP . 2.5 m -110.31 166.77 5.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.19 -0.944 . . . . 0.0 109.558 179.444 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 669' ' ' THR . . . . . 0.435 HG22 ' HA ' ' A' ' 674' ' ' THR . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.59 0 O-C-N 120.959 -1.088 . . . . 0.0 110.435 179.73 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 674' ' ' THR . . . . . 0.435 ' HA ' HG22 ' A' ' 669' ' ' THR . 33.1 m . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 675' ' ' TYR . . . . . 0.609 ' CE2' ' HB3' ' A' ' 698' ' ' LEU . 22.0 m-85 -131.38 158.98 39.32 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.1 -1.0 . . . . 0.0 111.015 -179.248 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -140.17 138.27 35.05 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.551 -0.718 . . . . 0.0 109.458 179.291 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . 0.521 ' O ' ' N ' ' A' ' 665' ' ' GLY . 0.1 OUTLIER -90.35 140.11 30.02 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.211 -0.931 . . . . 0.0 110.239 -179.883 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.97 -9.48 17.06 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.34 -0.85 . . . . 0.0 109.988 179.881 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 679' ' ' GLN . . . . . 0.58 ' HB2' ' CD2' ' A' ' 681' ' ' HIS . 35.9 mt-30 -144.74 144.03 23.18 Favored Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 121.294 -0.879 . . . . 0.0 110.3 179.872 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 680' ' ' PRO . . . . . 0.902 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.2 Cg_exo -58.51 94.66 0.07 OUTLIER 'Trans proline' 0 C--N 1.312 -1.344 0 O-C-N 123.57 1.3 . . . . 0.0 110.417 179.568 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 681' ' ' HIS . . . . . 0.58 ' CD2' ' HB2' ' A' ' 679' ' ' GLN . 22.3 m-70 -133.03 163.57 28.93 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.357 -0.839 . . . . 0.0 110.116 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 9.6 m -102.33 126.8 49.46 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.275 -0.89 . . . . 0.0 110.516 -179.824 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 60.4 p -75.31 145.31 41.9 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.379 -0.825 . . . . 0.0 110.04 179.71 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . 0.587 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.7 OUTLIER -141.7 -179.2 6.04 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.12 -0.988 . . . . 0.0 110.647 -179.964 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -69.01 76.15 0.32 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.378 -0.826 . . . . 0.0 109.835 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 686' ' ' GLY . . . . . . . . . . . . . . . 170.27 -25.1 0.1 OUTLIER Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.839 -1.305 . . . . 0.0 109.839 -179.869 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 687' ' ' TRP . . . . . 0.424 ' CD1' HD21 ' A' ' 684' ' ' LEU . 32.3 m0 -86.92 36.46 0.72 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.009 -1.289 . . . . 0.0 110.21 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 688' ' ' GLU . . . . . 0.588 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 2.0 mt-10 -89.54 -48.3 0.4 Allowed Pre-proline 0 N--CA 1.496 1.859 0 O-C-N 121.25 -0.906 . . . . 0.0 110.693 -179.836 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 689' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.6 Cg_endo -70.28 -4.07 13.64 Favored 'Trans proline' 0 C--N 1.315 -1.2 0 O-C-N 123.253 1.133 . . . . 0.0 110.138 179.87 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 690' ' ' SER . . . . . 0.441 ' O ' ' OG ' ' A' ' 690' ' ' SER . 3.5 p 59.01 52.38 6.38 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.326 -0.859 . . . . 0.0 109.796 -179.281 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 691' ' ' ASN . . . . . 0.639 ' OD1' HG13 ' A' ' 692' ' ' VAL . 10.3 p30 -79.7 9.22 5.34 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.265 -0.897 . . . . 0.0 110.529 -179.716 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 692' ' ' VAL . . . . . 0.639 HG13 ' OD1' ' A' ' 691' ' ' ASN . 9.9 m -131.76 78.71 69.84 Favored Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.263 -0.898 . . . . 0.0 109.887 179.657 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.16 -18.04 55.96 Favored 'Trans proline' 0 C--N 1.313 -1.337 0 O-C-N 123.768 1.404 . . . . 0.0 110.879 -179.771 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -57.82 -33.66 68.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.19 -0.944 . . . . 0.0 110.166 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 695' ' ' LEU . . . . . 1.057 HD13 ' N ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -129.76 -10.67 4.42 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.247 -0.908 . . . . 0.0 110.751 -179.645 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 696' ' ' TRP . . . . . 1.057 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.5 OUTLIER -115.51 96.7 5.76 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.246 -0.909 . . . . 0.0 110.51 -179.759 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -101.48 164.03 11.97 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.371 -0.831 . . . . 0.0 109.515 179.37 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . 0.761 HD12 ' N ' ' A' ' 699' ' ' GLN . 0.8 OUTLIER -154.73 -176.09 5.74 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.924 -1.11 . . . . 0.0 110.58 -179.94 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 699' ' ' GLN . . . . . 0.761 ' N ' HD12 ' A' ' 698' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.612 0 O-C-N 121.296 -0.877 . . . . 0.0 110.207 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 656' ' ' TRP . . . . . 0.663 ' CZ3' HG12 ' A' ' 658' ' ' VAL . 80.8 t90 . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.116 0.484 . . . . 0.0 110.107 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -117.37 122.91 45.15 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.247 -0.908 . . . . 0.0 110.377 -179.833 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 658' ' ' VAL . . . . . 0.663 HG12 ' CZ3' ' A' ' 656' ' ' TRP . 5.4 m -55.48 143.66 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.154 -0.966 . . . . 0.0 110.061 179.822 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 659' ' ' ASN . . . . . 0.516 ' CB ' ' O ' ' A' ' 658' ' ' VAL . 1.2 t30 70.28 51.93 0.37 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.308 -0.87 . . . . 0.0 109.762 -179.748 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 86.7 m -138.93 137.71 36.69 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.324 -0.86 . . . . 0.0 110.301 -179.846 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -81.26 133.12 35.39 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.251 -0.906 . . . . 0.0 109.914 179.796 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 662' ' ' TYR . . . . . 0.47 ' CD2' ' HB3' ' A' ' 683' ' ' SER . 24.3 m-85 -120.33 150.53 40.59 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.17 -0.956 . . . . 0.0 110.413 -179.843 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 663' ' ' THR . . . . . 0.444 ' O ' ' HB2' ' A' ' 666' ' ' GLN . 0.1 OUTLIER -103.05 164.43 11.62 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.309 -0.869 . . . . 0.0 109.801 179.744 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 664' ' ' ALA . . . . . 0.942 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -64.68 124.02 20.84 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.173 -0.955 . . . . 0.0 110.433 -179.813 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 665' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 92.48 26.05 19.1 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 179.893 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 666' ' ' GLN . . . . . 0.533 ' CB ' ' HB3' ' A' ' 677' ' ' CYS . 0.5 OUTLIER -90.72 176.34 6.69 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.218 -1.166 . . . . 0.0 110.206 179.952 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -134.27 132.77 40.03 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.167 -0.958 . . . . 0.0 110.475 -179.863 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 668' ' ' VAL . . . . . 0.597 HG11 ' HH2' ' A' ' 696' ' ' TRP . 3.0 m -137.37 158.96 35.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.329 -0.857 . . . . 0.0 109.791 179.77 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 11.5 p . . . . . 0 N--CA 1.494 1.744 0 O-C-N 121.076 -1.015 . . . . 0.0 110.343 179.918 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 674' ' ' THR . . . . . 0.692 ' O ' HD12 ' A' ' 698' ' ' LEU . 41.1 m . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 121.228 0.537 . . . . 0.0 110.012 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 675' ' ' TYR . . . . . 0.868 ' CE2' HD13 ' A' ' 698' ' ' LEU . 94.9 m-85 -125.04 177.19 6.2 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.088 -1.007 . . . . 0.0 110.687 -179.697 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . 0.484 ' HB2' ' O ' ' A' ' 697' ' ' GLN . 4.6 mptt -140.16 104.73 4.89 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.335 -0.853 . . . . 0.0 110.278 -179.917 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . 0.533 ' HB3' ' CB ' ' A' ' 666' ' ' GLN . 37.9 t -55.34 139.72 41.98 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.165 -0.959 . . . . 0.0 109.938 179.804 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.49 HD23 ' HG2' ' A' ' 679' ' ' GLN . 1.1 tt -117.59 -19.59 9.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.306 -0.871 . . . . 0.0 110.42 -179.668 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 679' ' ' GLN . . . . . 0.49 ' HG2' HD23 ' A' ' 678' ' ' LEU . 1.9 mm100 -135.0 144.85 52.05 Favored Pre-proline 0 N--CA 1.489 1.496 0 O-C-N 121.182 -0.948 . . . . 0.0 110.35 -179.897 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 680' ' ' PRO . . . . . 0.942 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.0 Cg_exo -59.78 103.89 0.21 Allowed 'Trans proline' 0 C--N 1.312 -1.355 0 O-C-N 123.573 1.302 . . . . 0.0 110.462 179.861 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 681' ' ' HIS . . . . . 0.514 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 26.4 m-70 -147.64 170.22 17.99 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.253 -0.904 . . . . 0.0 110.12 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 682' ' ' THR . . . . . 0.434 ' O ' ' CD1' ' A' ' 684' ' ' LEU . 3.0 m -105.96 128.33 53.74 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.252 -0.905 . . . . 0.0 110.301 -179.723 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 683' ' ' SER . . . . . 0.664 ' C ' HD13 ' A' ' 684' ' ' LEU . 0.0 OUTLIER -89.77 142.86 27.29 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.272 -0.892 . . . . 0.0 109.854 179.603 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . 0.896 HD13 ' N ' ' A' ' 684' ' ' LEU . 0.0 OUTLIER -153.03 -166.88 2.57 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.195 -0.941 . . . . 0.0 110.773 -179.923 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -62.24 82.53 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.39 -0.819 . . . . 0.0 109.945 179.901 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 686' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 164.81 -38.78 0.29 Allowed Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 -179.84 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 687' ' ' TRP . . . . . 0.402 ' CZ3' ' HB3' ' A' ' 681' ' ' HIS . 15.7 m0 -87.2 34.44 0.69 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.268 -1.137 . . . . 0.0 110.207 179.867 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 688' ' ' GLU . . . . . 0.574 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 0.8 OUTLIER -90.16 -48.86 0.37 Allowed Pre-proline 0 N--CA 1.494 1.765 0 O-C-N 121.178 -0.951 . . . . 0.0 110.814 -179.629 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 689' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.7 Cg_endo -69.25 -5.09 15.04 Favored 'Trans proline' 0 C--N 1.314 -1.282 0 O-C-N 123.127 1.067 . . . . 0.0 110.257 -179.712 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 690' ' ' SER . . . . . 0.477 ' O ' ' OG ' ' A' ' 690' ' ' SER . 1.5 p 62.45 50.21 3.77 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.362 -0.836 . . . . 0.0 109.714 -179.567 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 691' ' ' ASN . . . . . 0.676 ' OD1' HG13 ' A' ' 692' ' ' VAL . 17.0 p30 -85.19 19.39 2.24 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.309 -0.869 . . . . 0.0 110.895 -179.426 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 692' ' ' VAL . . . . . 0.676 HG13 ' OD1' ' A' ' 691' ' ' ASN . 11.0 m -137.37 78.6 38.4 Favored Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.122 -0.986 . . . . 0.0 109.925 179.657 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -60.58 -14.19 29.65 Favored 'Trans proline' 0 C--N 1.312 -1.366 0 O-C-N 123.792 1.417 . . . . 0.0 110.854 -179.635 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -63.41 -39.08 93.54 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.083 -1.011 . . . . 0.0 110.104 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 695' ' ' LEU . . . . . 1.111 HD13 ' N ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -116.33 -14.01 11.03 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.251 -0.906 . . . . 0.0 110.129 179.905 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 696' ' ' TRP . . . . . 1.111 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.1 OUTLIER -104.98 112.56 25.74 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.237 -0.914 . . . . 0.0 110.275 179.802 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 697' ' ' GLN . . . . . 0.484 ' O ' ' HB2' ' A' ' 676' ' ' LYS . 19.8 tp60 -99.71 86.61 3.35 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.219 -0.926 . . . . 0.0 109.851 179.695 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . 0.868 HD13 ' CE2' ' A' ' 675' ' ' TYR . 22.4 tp -66.95 157.84 32.33 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.214 -0.929 . . . . 0.0 110.576 -179.611 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 699' ' ' GLN . . . . . 0.613 ' H ' HD12 ' A' ' 698' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.381 -0.824 . . . . 0.0 110.233 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 656' ' ' TRP . . . . . 0.443 ' C ' ' HG3' ' A' ' 657' ' ' GLN . 91.9 t90 . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.246 0.546 . . . . 0.0 110.202 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 657' ' ' GLN . . . . . 0.443 ' HG3' ' C ' ' A' ' 656' ' ' TRP . 37.9 mt-30 -146.53 155.8 42.78 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.31 -0.869 . . . . 0.0 110.114 179.896 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 658' ' ' VAL . . . . . 0.421 ' O ' ' CB ' ' A' ' 659' ' ' ASN . 33.2 m -77.78 152.96 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.173 -0.954 . . . . 0.0 110.113 179.961 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 659' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 658' ' ' VAL . 0.9 OUTLIER 64.47 51.37 2.02 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.168 -0.957 . . . . 0.0 109.956 -179.825 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 16.0 m -134.45 128.11 32.84 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.259 -0.9 . . . . 0.0 110.333 -179.874 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -84.18 110.68 18.71 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.31 -0.869 . . . . 0.0 109.975 179.814 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 662' ' ' TYR . . . . . 0.474 ' O ' ' HA ' ' A' ' 680' ' ' PRO . 18.2 m-85 -99.97 152.67 19.92 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.208 -0.932 . . . . 0.0 110.517 -179.762 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 663' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 21.1 p -106.71 173.45 6.32 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.366 -0.834 . . . . 0.0 109.755 179.532 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 664' ' ' ALA . . . . . 0.833 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -68.64 130.52 43.07 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.117 -0.989 . . . . 0.0 110.241 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 665' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 86.63 28.08 27.81 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.73 -1.348 . . . . 0.0 109.73 179.748 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 666' ' ' GLN . . . . . 0.484 ' HB3' ' HB2' ' A' ' 677' ' ' CYS . 1.3 tm0? -89.97 -174.17 4.14 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.17 -1.194 . . . . 0.0 109.978 179.845 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 667' ' ' LEU . . . . . 0.807 HD23 ' N ' ' A' ' 668' ' ' VAL . 5.0 tt -152.43 130.7 12.02 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.135 -0.978 . . . . 0.0 110.526 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 668' ' ' VAL . . . . . 0.807 ' N ' HD23 ' A' ' 667' ' ' LEU . 2.6 m -137.13 171.17 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.313 -0.867 . . . . 0.0 109.827 179.733 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 40.3 p . . . . . 0 N--CA 1.49 1.528 0 O-C-N 121.147 -0.97 . . . . 0.0 110.454 179.727 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 674' ' ' THR . . . . . 0.446 ' O ' ' HB2' ' A' ' 698' ' ' LEU . 98.3 m . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 121.144 0.497 . . . . 0.0 110.05 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 675' ' ' TYR . . . . . 0.625 ' CE2' ' HB3' ' A' ' 698' ' ' LEU . 33.0 m-85 -136.28 158.53 44.2 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.263 -0.898 . . . . 0.0 110.606 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.93 131.39 32.97 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.438 -0.789 . . . . 0.0 110.015 179.703 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 665' ' ' GLY . 0.5 OUTLIER -79.41 142.64 35.77 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.286 -0.883 . . . . 0.0 110.029 179.965 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.465 ' HB3' ' HA ' ' A' ' 695' ' ' LEU . 3.9 tp -115.07 -16.79 11.57 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.183 -0.948 . . . . 0.0 110.41 -179.897 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 679' ' ' GLN . . . . . 0.494 ' HB3' ' NE2' ' A' ' 681' ' ' HIS . 3.0 mm-40 -141.38 142.73 27.6 Favored Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.178 -0.951 . . . . 0.0 110.354 -179.884 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 680' ' ' PRO . . . . . 0.833 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.2 Cg_exo -59.89 110.7 0.79 Allowed 'Trans proline' 0 C--N 1.313 -1.307 0 O-C-N 123.638 1.336 . . . . 0.0 110.916 179.746 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 681' ' ' HIS . . . . . 0.519 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 43.9 m-70 -150.62 -174.89 4.9 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.244 -0.91 . . . . 0.0 110.091 179.737 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 682' ' ' THR . . . . . 0.566 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 12.1 m -118.04 121.37 40.44 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.237 -0.914 . . . . 0.0 110.582 -179.668 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 683' ' ' SER . . . . . 0.536 ' HA ' ' CE3' ' A' ' 687' ' ' TRP . 3.4 m -83.56 147.36 27.81 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.34 -0.85 . . . . 0.0 110.059 179.756 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . 0.551 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.5 OUTLIER -154.96 -171.68 3.92 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.206 -0.934 . . . . 0.0 110.534 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -64.12 70.79 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.372 -0.83 . . . . 0.0 110.095 179.894 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 686' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . -176.09 -36.82 0.05 OUTLIER Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.131 -1.588 . . . . 0.0 109.131 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 687' ' ' TRP . . . . . 0.566 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 47.7 m0 -89.19 38.75 0.91 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.337 -1.096 . . . . 0.0 110.1 179.86 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 688' ' ' GLU . . . . . 0.581 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.7 mt-10 -89.52 -48.76 0.4 Allowed Pre-proline 0 N--CA 1.494 1.738 0 O-C-N 121.266 -0.896 . . . . 0.0 110.563 -179.768 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 689' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.5 Cg_endo -70.65 -6.35 18.84 Favored 'Trans proline' 0 C--N 1.314 -1.287 0 O-C-N 123.187 1.098 . . . . 0.0 109.843 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 690' ' ' SER . . . . . 0.479 ' CB ' ' CE2' ' A' ' 675' ' ' TYR . 1.9 p 61.58 51.5 4.01 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.393 -0.817 . . . . 0.0 109.615 -179.469 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 691' ' ' ASN . . . . . 0.633 ' OD1' HG13 ' A' ' 692' ' ' VAL . 12.3 p30 -82.64 14.82 2.9 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.285 -0.884 . . . . 0.0 110.664 -179.642 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 692' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 692' ' ' VAL . 30.6 m -136.62 80.31 38.41 Favored Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.1 -1.0 . . . . 0.0 110.135 179.762 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.86 -13.79 32.88 Favored 'Trans proline' 0 C--N 1.312 -1.36 0 O-C-N 123.734 1.387 . . . . 0.0 110.512 -179.929 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -54.65 -33.47 60.72 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.24 -0.913 . . . . 0.0 110.363 -179.896 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 695' ' ' LEU . . . . . 0.889 HD12 ' N ' ' A' ' 696' ' ' TRP . 1.2 pp -130.97 -4.14 3.99 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.29 -0.882 . . . . 0.0 110.437 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 696' ' ' TRP . . . . . 0.889 ' N ' HD12 ' A' ' 695' ' ' LEU . 1.1 m95 -113.84 97.94 6.71 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.15 -0.969 . . . . 0.0 110.619 -179.639 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -101.08 108.6 20.34 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.15 -0.969 . . . . 0.0 109.773 179.476 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . 0.686 HD12 ' N ' ' A' ' 699' ' ' GLN . 0.5 OUTLIER -102.3 -179.15 3.9 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.195 -0.941 . . . . 0.0 110.829 -179.459 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 699' ' ' GLN . . . . . 0.686 ' N ' HD12 ' A' ' 698' ' ' LEU . 1.8 pt20 . . . . . 0 N--CA 1.492 1.674 0 O-C-N 121.451 -0.781 . . . . 0.0 110.32 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 656' ' ' TRP . . . . . 0.929 ' CH2' HG12 ' A' ' 658' ' ' VAL . 84.4 t90 . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.173 0.511 . . . . 0.0 110.028 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -141.15 150.17 42.45 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.178 -0.951 . . . . 0.0 110.358 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 658' ' ' VAL . . . . . 0.929 HG12 ' CH2' ' A' ' 656' ' ' TRP . 11.6 m -86.68 158.86 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.344 -0.847 . . . . 0.0 110.101 179.908 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 659' ' ' ASN . . . . . 0.463 ' HB3' ' O ' ' A' ' 658' ' ' VAL . 52.3 t30 67.12 45.21 1.76 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.24 -0.913 . . . . 0.0 109.926 -179.853 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 2.9 m -140.38 164.26 30.58 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.256 -0.903 . . . . 0.0 110.491 -179.608 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . 0.442 ' HA ' ' HA ' ' A' ' 682' ' ' THR . . . -115.89 115.42 26.19 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.281 -0.887 . . . . 0.0 110.008 179.77 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 662' ' ' TYR . . . . . 0.467 ' O ' ' HA ' ' A' ' 680' ' ' PRO . 23.9 m-85 -101.07 155.08 18.19 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.128 -0.983 . . . . 0.0 110.344 -179.834 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 34.8 p -101.01 160.73 14.13 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.316 -0.865 . . . . 0.0 110.181 -179.906 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 664' ' ' ALA . . . . . 0.922 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -55.1 125.18 19.42 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.276 -0.89 . . . . 0.0 110.238 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 665' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 89.5 33.47 9.28 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.717 -1.353 . . . . 0.0 109.717 179.835 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 666' ' ' GLN . . . . . 0.512 ' HB2' ' HB3' ' A' ' 677' ' ' CYS . 0.0 OUTLIER -89.57 168.59 12.04 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.21 -1.17 . . . . 0.0 110.307 179.988 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 667' ' ' LEU . . . . . 0.591 HD13 ' C ' ' A' ' 667' ' ' LEU . 0.9 OUTLIER -128.05 105.08 8.14 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.248 -0.908 . . . . 0.0 110.161 -179.947 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 668' ' ' VAL . . . . . 0.482 ' CG2' ' HB2' ' A' ' 675' ' ' TYR . 2.6 m -115.33 166.24 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.183 -0.948 . . . . 0.0 110.005 179.897 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 669' ' ' THR . . . . . 0.415 ' HA ' ' HA ' ' A' ' 674' ' ' THR . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.131 -0.981 . . . . 0.0 109.984 179.539 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 674' ' ' THR . . . . . 0.508 ' O ' HD12 ' A' ' 698' ' ' LEU . 40.2 m . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.185 0.517 . . . . 0.0 110.032 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 675' ' ' TYR . . . . . 0.637 ' CZ ' HD13 ' A' ' 698' ' ' LEU . 39.2 m-85 -110.44 169.71 8.56 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.205 -0.934 . . . . 0.0 110.587 -179.878 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . 0.528 ' HB2' ' O ' ' A' ' 697' ' ' GLN . 0.1 OUTLIER -129.98 93.34 3.48 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.432 -0.793 . . . . 0.0 110.027 -179.941 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . 0.512 ' HB3' ' HB2' ' A' ' 666' ' ' GLN . 0.1 OUTLIER -48.29 144.85 3.65 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.244 -0.91 . . . . 0.0 110.388 -179.792 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.35 -2.41 6.88 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.258 -0.901 . . . . 0.0 110.657 -179.713 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 679' ' ' GLN . . . . . 0.41 ' HA ' ' HD3' ' A' ' 680' ' ' PRO . 44.2 mt-30 -145.73 139.97 15.28 Favored Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.113 -0.992 . . . . 0.0 110.494 -179.816 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 680' ' ' PRO . . . . . 0.922 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 2.7 Cg_endo -64.87 93.54 0.21 Allowed 'Trans proline' 0 C--N 1.315 -1.211 0 O-C-N 123.509 1.268 . . . . 0.0 110.375 179.715 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 681' ' ' HIS . . . . . 0.468 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 2.3 m-70 -136.79 -176.26 4.3 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.213 -0.93 . . . . 0.0 110.101 -179.931 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 682' ' ' THR . . . . . 0.442 ' HA ' ' HA ' ' A' ' 661' ' ' ALA . 40.4 m -116.37 126.06 52.95 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.321 -0.862 . . . . 0.0 110.25 179.939 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 683' ' ' SER . . . . . 0.44 ' HA ' ' CE3' ' A' ' 687' ' ' TRP . 2.5 m -89.62 146.26 24.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.289 -0.882 . . . . 0.0 110.049 179.819 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . 0.542 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.5 OUTLIER -145.21 -171.16 3.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.324 -0.86 . . . . 0.0 110.346 -179.839 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -65.08 67.05 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.35 -0.844 . . . . 0.0 110.116 179.87 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 686' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . -174.92 -33.46 0.04 OUTLIER Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 -179.889 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 687' ' ' TRP . . . . . 0.44 ' CE3' ' HA ' ' A' ' 683' ' ' SER . 43.9 m0 -86.93 34.14 0.67 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.122 -1.222 . . . . 0.0 110.398 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 688' ' ' GLU . . . . . 0.609 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.2 mt-10 -87.22 -47.11 0.5 Allowed Pre-proline 0 N--CA 1.494 1.756 0 O-C-N 121.202 -0.936 . . . . 0.0 110.593 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 689' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.7 Cg_endo -69.08 -5.53 16.01 Favored 'Trans proline' 0 C--N 1.314 -1.26 0 O-C-N 123.235 1.123 . . . . 0.0 110.145 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 690' ' ' SER . . . . . 0.474 ' O ' ' OG ' ' A' ' 690' ' ' SER . 1.5 p 64.55 51.66 1.92 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.381 -0.825 . . . . 0.0 109.655 -179.502 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 691' ' ' ASN . . . . . 0.871 ' OD1' HG13 ' A' ' 692' ' ' VAL . 16.6 p30 -79.88 6.44 11.13 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.236 -0.915 . . . . 0.0 110.717 -179.542 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 692' ' ' VAL . . . . . 0.871 HG13 ' OD1' ' A' ' 691' ' ' ASN . 16.7 m -132.03 76.91 72.66 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.144 -0.973 . . . . 0.0 110.076 179.639 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -60.36 -24.48 77.74 Favored 'Trans proline' 0 C--N 1.311 -1.404 0 O-C-N 123.738 1.388 . . . . 0.0 110.529 -179.905 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -47.7 -30.44 3.82 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.174 -0.954 . . . . 0.0 109.743 179.746 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 695' ' ' LEU . . . . . 0.767 ' C ' HD12 ' A' ' 695' ' ' LEU . 3.4 pp -127.04 -5.5 6.17 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.35 -0.844 . . . . 0.0 110.013 179.557 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 696' ' ' TRP . . . . . 0.738 ' N ' HD12 ' A' ' 695' ' ' LEU . 0.5 OUTLIER -106.97 105.41 15.43 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.143 -0.973 . . . . 0.0 110.002 179.842 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 697' ' ' GLN . . . . . 0.528 ' O ' ' HB2' ' A' ' 676' ' ' LYS . 3.9 tt0 -99.34 82.69 2.72 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.107 -0.996 . . . . 0.0 109.657 179.731 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . 0.637 HD13 ' CZ ' ' A' ' 675' ' ' TYR . 40.8 tp -63.1 158.39 19.82 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.039 -1.038 . . . . 0.0 110.54 -179.484 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 699' ' ' GLN . . . . . 0.561 ' H ' HD12 ' A' ' 698' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.291 -0.88 . . . . 0.0 110.214 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 656' ' ' TRP . . . . . 0.643 ' CH2' HG13 ' A' ' 658' ' ' VAL . 52.0 t90 . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 121.191 0.52 . . . . 0.0 110.095 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -139.1 128.43 24.18 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.309 -0.87 . . . . 0.0 110.363 -179.88 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 658' ' ' VAL . . . . . 0.643 HG13 ' CH2' ' A' ' 656' ' ' TRP . 6.6 m -61.97 158.27 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.306 -0.871 . . . . 0.0 110.232 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 53.66 52.82 12.46 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.268 -0.895 . . . . 0.0 109.726 -179.747 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 660' ' ' THR . . . . . 0.422 ' O ' ' HA ' ' A' ' 682' ' ' THR . 22.1 m -136.57 155.21 50.24 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.353 -0.842 . . . . 0.0 110.453 -179.68 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -103.63 114.63 29.05 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.233 -0.917 . . . . 0.0 110.109 179.893 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -105.85 155.83 18.94 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.299 -0.876 . . . . 0.0 110.04 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 12.7 p -99.8 177.58 5.08 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.18 -0.95 . . . . 0.0 110.102 179.929 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 664' ' ' ALA . . . . . 0.841 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -73.75 129.68 38.43 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.343 -0.848 . . . . 0.0 110.246 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 665' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 79.57 32.93 36.12 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.714 -1.354 . . . . 0.0 109.714 179.696 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 666' ' ' GLN . . . . . 0.429 ' HB3' ' HB3' ' A' ' 677' ' ' CYS . 5.4 tp-100 -89.98 160.71 16.24 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.309 -1.112 . . . . 0.0 110.146 179.769 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 667' ' ' LEU . . . . . 0.758 HD13 ' C ' ' A' ' 667' ' ' LEU . 3.4 tm? -114.11 112.16 22.76 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.164 -0.96 . . . . 0.0 110.229 -179.962 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 668' ' ' VAL . . . . . . . . . . . . . 2.3 m -125.65 166.08 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.228 -0.92 . . . . 0.0 109.843 179.69 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 2.6 p . . . . . 0 N--CA 1.49 1.53 0 O-C-N 121.191 -0.943 . . . . 0.0 110.166 179.863 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 674' ' ' THR . . . . . 0.472 ' HB ' ' HG3' ' A' ' 699' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.074 0.464 . . . . 0.0 109.991 . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 675' ' ' TYR . . . . . 0.616 ' CE1' ' HB3' ' A' ' 698' ' ' LEU . 21.0 m-85 -138.8 154.83 48.51 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.219 -0.926 . . . . 0.0 110.871 -179.815 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . 0.43 ' HD2' ' OE1' ' A' ' 699' ' ' GLN . 0.0 OUTLIER -131.26 101.04 5.39 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.462 -0.773 . . . . 0.0 110.318 -179.655 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 665' ' ' GLY . 5.8 t -57.23 148.09 23.41 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.257 -0.902 . . . . 0.0 110.126 179.714 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.51 ' O ' ' HB1' ' A' ' 664' ' ' ALA . 0.2 OUTLIER -120.19 -21.21 7.07 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.223 -0.923 . . . . 0.0 110.671 -179.738 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 679' ' ' GLN . . . . . 0.477 ' HB2' ' CD2' ' A' ' 681' ' ' HIS . 14.7 mm100 -133.38 147.07 63.42 Favored Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.133 -0.979 . . . . 0.0 110.637 -179.687 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 680' ' ' PRO . . . . . 0.841 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 2.7 Cg_endo -62.98 100.37 0.24 Allowed 'Trans proline' 0 C--N 1.314 -1.271 0 O-C-N 123.643 1.339 . . . . 0.0 110.531 179.894 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 681' ' ' HIS . . . . . 0.477 ' CD2' ' HB2' ' A' ' 679' ' ' GLN . 48.3 m-70 -142.36 -177.14 5.12 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.164 -0.96 . . . . 0.0 110.309 179.872 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 682' ' ' THR . . . . . 0.431 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 31.7 m -114.67 123.18 48.65 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.334 -0.854 . . . . 0.0 110.185 -179.927 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 683' ' ' SER . . . . . 0.4 ' HA ' ' CE3' ' A' ' 687' ' ' TRP . 0.1 OUTLIER -77.44 147.62 35.86 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.327 -0.858 . . . . 0.0 109.779 179.729 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . 0.667 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.7 OUTLIER -155.41 -176.21 5.83 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.34 -0.85 . . . . 0.0 110.601 -179.923 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -64.92 64.67 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.559 -0.713 . . . . 0.0 110.211 -179.811 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 686' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . -169.49 -36.4 0.02 OUTLIER Glycine 0 N--CA 1.489 2.183 0 N-CA-C 109.135 -1.586 . . . . 0.0 109.135 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 687' ' ' TRP . . . . . 0.431 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 44.8 m0 -87.68 37.1 0.78 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.291 -1.123 . . . . 0.0 110.059 179.742 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 688' ' ' GLU . . . . . 0.591 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.5 mt-10 -88.42 -48.22 0.44 Allowed Pre-proline 0 N--CA 1.497 1.89 0 O-C-N 121.276 -0.89 . . . . 0.0 110.459 -179.851 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 689' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.5 Cg_endo -70.22 -4.56 14.59 Favored 'Trans proline' 0 C--N 1.314 -1.272 0 O-C-N 123.271 1.143 . . . . 0.0 109.861 179.832 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 690' ' ' SER . . . . . 0.513 ' CB ' ' CE1' ' A' ' 675' ' ' TYR . 4.8 p 56.9 45.73 20.9 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.313 -0.867 . . . . 0.0 109.462 -179.209 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 691' ' ' ASN . . . . . 0.502 ' OD1' HG13 ' A' ' 692' ' ' VAL . 21.3 p30 -79.56 4.19 16.58 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.437 -0.79 . . . . 0.0 110.187 -179.787 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 692' ' ' VAL . . . . . 0.522 HG23 ' HD1' ' A' ' 696' ' ' TRP . 1.2 m -119.84 78.7 23.43 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.344 -0.848 . . . . 0.0 110.037 179.689 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -60.93 -16.08 42.76 Favored 'Trans proline' 0 C--N 1.311 -1.434 0 O-C-N 123.78 1.411 . . . . 0.0 110.43 -179.912 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -56.77 -32.75 65.93 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.282 -0.886 . . . . 0.0 110.223 -179.906 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 695' ' ' LEU . . . . . 0.85 HD12 ' N ' ' A' ' 696' ' ' TRP . 1.2 pp -133.58 -2.43 3.03 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.253 -0.905 . . . . 0.0 110.731 -179.789 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 696' ' ' TRP . . . . . 0.85 ' N ' HD12 ' A' ' 695' ' ' LEU . 2.3 m95 -120.65 95.55 4.77 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.982 -1.073 . . . . 0.0 110.443 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 39.6 tp60 -99.9 105.14 16.83 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.264 -0.898 . . . . 0.0 109.777 179.637 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 698' ' ' LEU . . . . . 0.74 HD12 ' N ' ' A' ' 699' ' ' GLN . 0.4 OUTLIER -82.68 171.45 14.0 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.176 -0.953 . . . . 0.0 110.679 -179.398 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 699' ' ' GLN . . . . . 0.74 ' N ' HD12 ' A' ' 698' ' ' LEU . 2.9 pt20 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.424 -0.797 . . . . 0.0 110.18 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . 0.443 ' N ' ' OG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.19 0.519 . . . . 0.0 110.195 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 656' ' ' TRP . . . . . 1.153 ' CH2' HG22 ' A' ' 658' ' ' VAL . 30.2 t90 -51.22 146.42 6.71 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.114 -0.991 . . . . 0.0 109.958 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -119.94 122.66 41.71 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.206 -0.934 . . . . 0.0 110.447 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 658' ' ' VAL . . . . . 1.153 HG22 ' CH2' ' A' ' 656' ' ' TRP . 2.9 t -73.23 145.51 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.265 -0.897 . . . . 0.0 109.884 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 659' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 658' ' ' VAL . 3.0 m-80 60.56 53.31 4.17 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.22 -0.925 . . . . 0.0 110.059 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 660' ' ' THR . . . . . 0.495 ' O ' HG23 ' A' ' 682' ' ' THR . 8.0 m -136.34 173.5 11.63 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.165 -0.96 . . . . 0.0 110.388 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . 0.446 ' H ' HG22 ' A' ' 660' ' ' THR . . . -110.84 112.96 25.18 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.247 -0.908 . . . . 0.0 109.975 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -108.31 153.07 23.77 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.192 -0.943 . . . . 0.0 110.414 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 663' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 664' ' ' ALA . 60.4 p -112.97 148.34 35.26 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.323 -0.861 . . . . 0.0 109.912 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 664' ' ' ALA . . . . . 1.007 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -43.24 147.75 0.34 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.296 -0.877 . . . . 0.0 110.102 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 76.94 20.52 75.89 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . 0.518 ' HB2' ' HB3' ' A' ' 677' ' ' CYS . 0.9 OUTLIER -88.41 172.6 9.26 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.238 -1.154 . . . . 0.0 110.101 179.888 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 667' ' ' LEU . . . . . 0.463 ' HG ' ' HG3' ' A' ' 676' ' ' LYS . 1.2 tt -137.65 111.47 8.25 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.308 -0.87 . . . . 0.0 110.437 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 668' ' ' VAL . . . . . 0.569 HG21 ' CH2' ' A' ' 696' ' ' TRP . 2.3 m -116.36 161.45 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.206 -0.934 . . . . 0.0 109.9 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 669' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' A' ' 655' ' ' ALA . 4.0 p -140.52 125.53 18.42 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.143 -0.973 . . . . 0.0 110.279 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 670' ' ' TYR . . . . . 0.686 ' CE2' ' CD2' ' A' ' 656' ' ' TRP . 70.7 m-85 -97.72 -156.7 0.55 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.32 -0.863 . . . . 0.0 109.837 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . 0.418 ' O ' ' HG2' ' A' ' 673' ' ' LYS . 2.5 t-20 -47.82 90.87 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.037 -1.039 . . . . 0.0 110.121 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 672' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 670' ' ' TYR . . . 52.02 30.05 29.5 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 673' ' ' LYS . . . . . 0.488 ' HB2' ' HB2' ' A' ' 670' ' ' TYR . 19.3 mmtt -116.21 147.62 41.25 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.132 -1.217 . . . . 0.0 110.448 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 674' ' ' THR . . . . . . . . . . . . . 7.2 m -103.7 134.17 47.47 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.382 -0.824 . . . . 0.0 110.062 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 675' ' ' TYR . . . . . 0.62 ' CE1' ' HB3' ' A' ' 698' ' ' LEU . 18.0 m-85 -142.18 147.51 36.72 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.22 -0.925 . . . . 0.0 110.52 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . 0.463 ' HG3' ' HG ' ' A' ' 667' ' ' LEU . 0.0 OUTLIER -130.15 107.57 9.4 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.37 -0.831 . . . . 0.0 110.343 -179.804 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . 0.522 ' O ' HD12 ' A' ' 678' ' ' LEU . 0.1 OUTLIER -61.31 136.02 57.91 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.224 -0.922 . . . . 0.0 110.144 179.847 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.522 HD12 ' O ' ' A' ' 677' ' ' CYS . 1.9 mp -120.48 -3.66 9.88 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.147 -0.971 . . . . 0.0 110.466 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 679' ' ' GLN . . . . . 0.462 ' HB2' ' CB ' ' A' ' 695' ' ' LEU . 0.0 OUTLIER -135.87 131.27 18.95 Favored Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 121.109 -0.994 . . . . 0.0 110.201 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 680' ' ' PRO . . . . . 1.007 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.1 Cg_exo -62.16 109.04 0.75 Allowed 'Trans proline' 0 C--N 1.315 -1.225 0 O-C-N 123.508 1.267 . . . . 0.0 110.842 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 681' ' ' HIS . . . . . 0.536 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 8.4 m-70 -155.62 -168.98 2.97 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.417 -0.802 . . . . 0.0 110.108 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 682' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 660' ' ' THR . 24.9 m -117.83 125.29 50.27 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.145 -0.972 . . . . 0.0 110.527 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.79 136.86 47.25 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.226 -0.921 . . . . 0.0 109.771 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . 0.732 ' H ' HD23 ' A' ' 684' ' ' LEU . 1.6 pt? -132.47 167.48 19.88 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.174 -0.954 . . . . 0.0 110.779 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -63.4 71.6 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.475 -0.765 . . . . 0.0 110.316 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 686' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 178.02 -31.94 0.07 OUTLIER Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 18.3 m0 -88.55 36.27 0.79 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.282 -1.128 . . . . 0.0 109.808 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 688' ' ' GLU . . . . . 0.624 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 2.1 mt-10 -86.91 -46.2 0.52 Allowed Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 121.355 -0.84 . . . . 0.0 110.808 -179.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 689' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.5 Cg_endo -68.09 -5.78 15.58 Favored 'Trans proline' 0 C--N 1.314 -1.244 0 O-C-N 123.206 1.109 . . . . 0.0 110.22 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 690' ' ' SER . . . . . 0.497 ' CB ' ' CE1' ' A' ' 675' ' ' TYR . 1.3 p 66.78 51.98 0.99 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.331 -0.855 . . . . 0.0 109.691 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 691' ' ' ASN . . . . . 0.759 ' OD1' HG13 ' A' ' 692' ' ' VAL . 13.3 p30 -79.62 9.39 5.06 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.213 -0.929 . . . . 0.0 110.586 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 692' ' ' VAL . . . . . 0.759 HG13 ' OD1' ' A' ' 691' ' ' ASN . 15.8 m -134.23 80.05 53.97 Favored Pre-proline 0 N--CA 1.492 1.633 0 O-C-N 121.168 -0.957 . . . . 0.0 109.905 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -59.54 -23.4 70.78 Favored 'Trans proline' 0 C--N 1.311 -1.412 0 O-C-N 123.675 1.355 . . . . 0.0 110.244 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -44.57 -27.06 0.43 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.296 -0.878 . . . . 0.0 109.685 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 695' ' ' LEU . . . . . 0.687 ' C ' HD12 ' A' ' 695' ' ' LEU . 4.3 pp -137.5 -3.29 1.91 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.299 -0.876 . . . . 0.0 110.791 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 696' ' ' TRP . . . . . 0.569 ' CH2' HG21 ' A' ' 668' ' ' VAL . 0.7 OUTLIER -102.54 104.44 14.85 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.041 -1.037 . . . . 0.0 110.546 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 697' ' ' GLN . . . . . 0.477 ' HB2' HD22 ' A' ' 678' ' ' LEU . 7.0 tp60 -99.74 85.25 3.06 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.277 -0.889 . . . . 0.0 109.696 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . 0.867 HD12 ' N ' ' A' ' 699' ' ' GLN . 0.5 OUTLIER -87.36 167.31 14.15 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.207 -0.933 . . . . 0.0 110.807 -179.397 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 699' ' ' GLN . . . . . 0.867 ' N ' HD12 ' A' ' 698' ' ' LEU . 2.0 pt20 . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.39 -0.819 . . . . 0.0 110.069 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . 0.467 ' HA ' ' OG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.24 0.543 . . . . 0.0 110.24 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 656' ' ' TRP . . . . . 0.677 ' CD2' ' CE2' ' A' ' 670' ' ' TYR . 54.0 t90 -61.2 128.83 38.31 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.237 -0.914 . . . . 0.0 110.365 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -114.83 140.8 48.64 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.19 -0.944 . . . . 0.0 110.169 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 658' ' ' VAL . . . . . 0.453 ' H ' HG12 ' A' ' 658' ' ' VAL . 5.9 p -73.16 160.07 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.349 -0.844 . . . . 0.0 110.861 -179.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 57.29 57.09 4.66 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.299 -0.875 . . . . 0.0 110.544 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 660' ' ' THR . . . . . 0.647 HG22 ' HB2' ' A' ' 683' ' ' SER . 3.4 t -140.27 169.66 17.26 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.176 -0.953 . . . . 0.0 110.221 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -117.1 111.41 19.47 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.196 -0.94 . . . . 0.0 109.957 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 662' ' ' TYR . . . . . 0.548 ' CZ ' HG21 ' A' ' 660' ' ' THR . 11.4 m-85 -100.36 158.52 15.83 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.185 -0.947 . . . . 0.0 110.365 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 34.0 p -108.41 163.68 13.0 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.332 -0.855 . . . . 0.0 109.925 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 664' ' ' ALA . . . . . 0.951 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -60.61 119.33 7.88 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.279 -0.888 . . . . 0.0 110.281 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 97.38 28.31 8.61 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . 0.534 ' CB ' ' HB2' ' A' ' 677' ' ' CYS . 0.8 OUTLIER -86.48 177.37 7.43 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.262 -1.14 . . . . 0.0 110.069 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 1.9 tt -140.5 101.09 4.03 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.215 -0.928 . . . . 0.0 110.541 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 668' ' ' VAL . . . . . 0.43 ' HB ' ' HB2' ' A' ' 656' ' ' TRP . 4.2 m -115.57 169.5 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.321 -0.862 . . . . 0.0 109.626 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 669' ' ' THR . . . . . 0.489 ' HA ' ' O ' ' A' ' 673' ' ' LYS . 41.0 p -140.82 129.87 23.35 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.994 -1.067 . . . . 0.0 110.553 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 670' ' ' TYR . . . . . 0.677 ' CE2' ' CD2' ' A' ' 656' ' ' TRP . 91.9 m-85 -96.35 87.75 4.55 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.167 -0.958 . . . . 0.0 110.127 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 670' ' ' TYR . 8.9 m-20 40.67 88.43 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.354 -0.841 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . 74.43 -1.05 52.82 Favored Glycine 0 N--CA 1.492 2.402 0 N-CA-C 110.1 -1.2 . . . . 0.0 110.1 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 673' ' ' LYS . . . . . 0.538 ' HB2' ' HB2' ' A' ' 670' ' ' TYR . 50.7 mmtt -102.16 138.28 39.32 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.089 -1.242 . . . . 0.0 110.67 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 674' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 698' ' ' LEU . 4.2 m -103.16 118.09 36.0 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.313 -0.867 . . . . 0.0 109.44 179.196 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 675' ' ' TYR . . . . . 0.617 ' CE2' ' HB3' ' A' ' 698' ' ' LEU . 16.8 m-85 -133.67 158.76 42.43 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.172 -0.955 . . . . 0.0 110.923 -179.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . 0.472 ' HG2' ' O ' ' A' ' 697' ' ' GLN . 0.9 OUTLIER -140.3 135.32 32.12 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.4 -0.812 . . . . 0.0 109.823 179.545 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . 0.534 ' HB2' ' CB ' ' A' ' 666' ' ' GLN . 0.0 OUTLIER -81.27 144.77 31.31 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.155 -0.965 . . . . 0.0 110.061 -179.877 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.9 -15.8 11.2 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.302 -0.873 . . . . 0.0 110.489 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -138.65 142.48 34.4 Favored Pre-proline 0 N--CA 1.492 1.633 0 O-C-N 121.166 -0.959 . . . . 0.0 110.391 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 680' ' ' PRO . . . . . 0.951 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.2 Cg_exo -61.92 105.0 0.35 Allowed 'Trans proline' 0 C--N 1.313 -1.302 0 O-C-N 123.617 1.325 . . . . 0.0 110.842 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 681' ' ' HIS . . . . . 0.521 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 14.5 m-70 -147.27 -161.26 1.29 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.299 -0.876 . . . . 0.0 110.029 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 682' ' ' THR . . . . . 0.52 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 21.5 m -130.65 135.23 47.64 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.098 -1.001 . . . . 0.0 110.673 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 683' ' ' SER . . . . . 0.647 ' HB2' HG22 ' A' ' 660' ' ' THR . 59.1 m -90.37 149.49 22.26 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.275 -0.891 . . . . 0.0 110.108 179.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . 0.635 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.7 OUTLIER -151.42 -177.75 6.26 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.344 -0.847 . . . . 0.0 110.233 179.824 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -64.29 74.75 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.238 -0.914 . . . . 0.0 110.011 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 686' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 175.04 -32.06 0.09 OUTLIER Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.626 -1.39 . . . . 0.0 109.626 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 687' ' ' TRP . . . . . 0.52 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 38.9 m0 -86.38 33.38 0.63 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.172 -1.193 . . . . 0.0 110.216 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 688' ' ' GLU . . . . . 0.592 ' HA ' ' CE2' ' A' ' 670' ' ' TYR . 0.7 OUTLIER -90.17 -48.44 0.38 Allowed Pre-proline 0 N--CA 1.496 1.841 0 O-C-N 121.222 -0.924 . . . . 0.0 110.759 -179.666 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 689' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.7 Cg_endo -70.54 -0.99 8.41 Favored 'Trans proline' 0 C--N 1.315 -1.205 0 O-C-N 123.258 1.136 . . . . 0.0 110.801 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 690' ' ' SER . . . . . 0.473 ' OG ' ' O ' ' A' ' 689' ' ' PRO . 4.0 p 60.89 56.77 2.78 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.287 -0.883 . . . . 0.0 109.917 -179.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 691' ' ' ASN . . . . . 0.427 ' C ' ' HD3' ' A' ' 693' ' ' PRO . 8.3 m-80 -79.44 -16.42 56.16 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.337 -0.852 . . . . 0.0 110.195 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 692' ' ' VAL . . . . . 0.788 HG23 ' O ' ' A' ' 692' ' ' VAL . 18.6 m -116.87 78.48 9.33 Favored Pre-proline 0 N--CA 1.489 1.52 0 O-C-N 121.168 -0.957 . . . . 0.0 110.217 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 693' ' ' PRO . . . . . 0.427 ' HD3' ' C ' ' A' ' 691' ' ' ASN . 3.0 Cg_exo -60.14 -14.88 30.96 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 O-C-N 123.664 1.349 . . . . 0.0 110.433 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -50.35 -32.37 17.13 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.216 -0.928 . . . . 0.0 110.063 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 695' ' ' LEU . . . . . 1.004 HD12 ' N ' ' A' ' 696' ' ' TRP . 1.0 OUTLIER -128.44 -12.25 5.02 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.206 -0.934 . . . . 0.0 110.557 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 696' ' ' TRP . . . . . 1.004 ' N ' HD12 ' A' ' 695' ' ' LEU . 2.8 m95 -105.29 97.03 6.93 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.171 -0.956 . . . . 0.0 110.37 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 697' ' ' GLN . . . . . 0.472 ' O ' ' HG2' ' A' ' 676' ' ' LYS . 0.4 OUTLIER -105.1 118.79 37.43 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.228 -0.92 . . . . 0.0 109.883 179.647 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . 1.009 HD12 ' N ' ' A' ' 699' ' ' GLN . 2.4 pp -102.29 -173.96 2.46 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.964 -1.085 . . . . 0.0 110.76 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 699' ' ' GLN . . . . . 1.009 ' N ' HD12 ' A' ' 698' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 O-C-N 121.522 -0.736 . . . . 0.0 110.227 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . 0.45 ' N ' ' HG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.183 0.516 . . . . 0.0 110.24 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 656' ' ' TRP . . . . . 0.42 ' CD2' ' CE1' ' A' ' 670' ' ' TYR . 76.2 t90 -67.18 121.66 16.14 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.112 -0.992 . . . . 0.0 110.168 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 24.3 mm100 -104.04 114.0 27.94 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.315 -0.866 . . . . 0.0 110.094 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 658' ' ' VAL . . . . . 0.453 HG22 ' OD1' ' A' ' 659' ' ' ASN . 7.1 p -56.55 155.83 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.192 -0.943 . . . . 0.0 110.119 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 659' ' ' ASN . . . . . 0.453 ' OD1' HG22 ' A' ' 658' ' ' VAL . 3.1 m120 50.96 59.29 4.73 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.314 -0.866 . . . . 0.0 110.136 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 660' ' ' THR . . . . . 0.401 HG22 ' N ' ' A' ' 661' ' ' ALA . 24.8 m -140.92 161.08 38.67 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.274 -0.891 . . . . 0.0 110.53 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . 0.401 ' N ' HG22 ' A' ' 660' ' ' THR . . . -104.33 126.57 51.54 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.25 -0.906 . . . . 0.0 109.906 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -120.89 148.58 43.86 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.192 -0.943 . . . . 0.0 110.453 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 56.1 p -100.78 162.04 13.19 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.35 -0.844 . . . . 0.0 109.996 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 664' ' ' ALA . . . . . 0.854 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -58.63 108.06 0.59 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.216 -0.927 . . . . 0.0 110.302 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 114.89 25.82 3.78 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . 0.567 ' CB ' ' HB2' ' A' ' 677' ' ' CYS . 1.4 mm-40 -90.5 -179.26 5.53 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.133 -1.216 . . . . 0.0 110.043 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.91 127.1 22.65 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.276 -0.89 . . . . 0.0 110.67 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 668' ' ' VAL . . . . . 0.496 ' CG2' ' HB2' ' A' ' 675' ' ' TYR . 2.5 m -137.01 156.91 35.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.234 -0.916 . . . . 0.0 109.976 179.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 669' ' ' THR . . . . . 0.45 ' HG1' ' N ' ' A' ' 655' ' ' ALA . 53.3 p -140.42 124.66 17.66 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.123 -0.986 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 670' ' ' TYR . . . . . 0.573 ' CZ ' ' HA ' ' A' ' 688' ' ' GLU . 76.7 m-85 -84.63 -174.07 5.07 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.195 -0.94 . . . . 0.0 110.364 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . 0.472 ' C ' ' O ' ' A' ' 670' ' ' TYR . 1.9 p-10 -31.15 -35.87 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.896 -0.502 . . . . 0.0 111.5 -179.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 672' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 670' ' ' TYR . . . -167.44 41.97 0.24 Allowed Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 673' ' ' LYS . . . . . 0.459 ' HB2' ' HB2' ' A' ' 670' ' ' TYR . 38.2 mmtt -134.57 149.36 50.61 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.242 -1.152 . . . . 0.0 110.504 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 674' ' ' THR . . . . . 0.476 ' HB ' ' HG3' ' A' ' 699' ' ' GLN . 87.7 m -108.31 130.18 55.2 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.38 -0.825 . . . . 0.0 110.022 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 675' ' ' TYR . . . . . 0.623 ' CE1' ' CB ' ' A' ' 690' ' ' SER . 49.1 m-85 -132.96 158.62 42.21 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.334 -0.854 . . . . 0.0 110.815 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 697' ' ' GLN . 0.4 OUTLIER -134.62 99.51 4.36 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.419 -0.8 . . . . 0.0 109.96 179.73 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . 0.567 ' HB2' ' CB ' ' A' ' 666' ' ' GLN . 0.5 OUTLIER -50.98 134.75 25.73 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.286 -0.884 . . . . 0.0 109.88 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.05 1.08 9.76 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.087 -1.008 . . . . 0.0 110.953 -179.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 679' ' ' GLN . . . . . 0.476 ' HA ' ' HB2' ' A' ' 664' ' ' ALA . 5.5 mt-30 -150.82 148.0 22.21 Favored Pre-proline 0 N--CA 1.493 1.712 0 O-C-N 120.921 -1.112 . . . . 0.0 110.754 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 680' ' ' PRO . . . . . 0.854 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.0 Cg_exo -61.61 99.54 0.18 Allowed 'Trans proline' 0 C--N 1.315 -1.231 0 O-C-N 123.684 1.36 . . . . 0.0 110.462 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 681' ' ' HIS . . . . . 0.464 ' CD2' HD22 ' A' ' 695' ' ' LEU . 34.4 m-70 -147.04 165.35 30.16 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.244 -0.91 . . . . 0.0 110.328 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 682' ' ' THR . . . . . 0.447 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 42.9 m -104.6 135.97 45.01 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.306 -0.871 . . . . 0.0 110.494 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 12.0 p -89.94 145.86 24.81 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.271 -0.893 . . . . 0.0 109.849 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . 0.659 ' H ' HD23 ' A' ' 684' ' ' LEU . 1.2 pt? -158.39 179.56 9.03 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.239 -0.913 . . . . 0.0 110.382 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -60.42 78.66 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.41 -0.806 . . . . 0.0 109.99 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 686' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 171.65 -42.97 0.18 Allowed Glycine 0 N--CA 1.489 2.183 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 687' ' ' TRP . . . . . 0.447 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 46.2 m0 -89.46 37.72 0.88 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.24 -1.153 . . . . 0.0 109.951 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 688' ' ' GLU . . . . . 0.605 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.3 mt-10 -88.24 -47.84 0.45 Allowed Pre-proline 0 N--CA 1.496 1.866 0 O-C-N 121.287 -0.883 . . . . 0.0 110.511 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 689' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.7 Cg_endo -69.26 -4.23 13.27 Favored 'Trans proline' 0 C--N 1.315 -1.203 0 O-C-N 123.244 1.129 . . . . 0.0 110.191 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 690' ' ' SER . . . . . 0.623 ' CB ' ' CE1' ' A' ' 675' ' ' TYR . 1.7 p 62.89 57.7 1.65 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.397 -0.814 . . . . 0.0 109.717 -179.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -79.18 -4.41 50.37 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.319 -0.863 . . . . 0.0 110.668 -179.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 692' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 692' ' ' VAL . 17.8 m -120.78 88.0 43.27 Favored Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.052 -1.03 . . . . 0.0 110.469 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.5 -25.21 79.33 Favored 'Trans proline' 0 C--N 1.31 -1.459 0 O-C-N 123.521 1.274 . . . . 0.0 110.399 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -46.33 -30.63 2.16 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.294 -0.879 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 695' ' ' LEU . . . . . 0.584 ' C ' HD12 ' A' ' 695' ' ' LEU . 4.2 pp -130.34 -4.09 4.34 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.206 -0.934 . . . . 0.0 110.541 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 696' ' ' TRP . . . . . 0.501 ' HA ' ' CE3' ' A' ' 696' ' ' TRP . 1.2 m95 -108.64 99.84 9.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.108 -0.995 . . . . 0.0 110.687 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 697' ' ' GLN . . . . . 0.483 ' O ' ' HB2' ' A' ' 676' ' ' LYS . 6.0 tt0 -99.62 93.18 5.71 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.241 -0.912 . . . . 0.0 109.132 179.116 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . 0.832 HD12 ' N ' ' A' ' 699' ' ' GLN . 0.5 OUTLIER -96.0 -176.24 3.64 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.282 -0.886 . . . . 0.0 111.03 -178.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 699' ' ' GLN . . . . . 0.832 ' N ' HD12 ' A' ' 698' ' ' LEU . 4.9 pt20 . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.522 -0.736 . . . . 0.0 110.265 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . 0.45 ' HA ' ' OG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.156 0.503 . . . . 0.0 110.327 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 656' ' ' TRP . . . . . 0.531 ' CD1' ' OH ' ' A' ' 670' ' ' TYR . 36.8 t90 -87.67 149.32 24.34 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.332 -0.855 . . . . 0.0 110.146 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -136.72 144.55 43.92 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.195 -0.941 . . . . 0.0 110.111 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 658' ' ' VAL . . . . . 0.435 HG12 ' H ' ' A' ' 658' ' ' VAL . 7.4 p -80.03 155.85 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.143 -0.973 . . . . 0.0 110.259 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 57.49 54.17 6.76 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.278 -0.889 . . . . 0.0 110.196 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 660' ' ' THR . . . . . 0.532 HG22 ' N ' ' A' ' 661' ' ' ALA . 58.7 m -140.22 167.54 21.91 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.101 -1.0 . . . . 0.0 110.886 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . 0.532 ' N ' HG22 ' A' ' 660' ' ' THR . . . -113.98 124.74 52.89 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.436 -0.79 . . . . 0.0 109.777 179.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 662' ' ' TYR . . . . . 0.494 ' O ' ' HA ' ' A' ' 680' ' ' PRO . 7.8 m-85 -113.42 151.98 30.66 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.141 -0.974 . . . . 0.0 110.631 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 6.1 p -100.19 154.27 18.58 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.301 -0.874 . . . . 0.0 109.72 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 664' ' ' ALA . . . . . 0.878 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -48.8 135.44 15.19 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.272 -0.893 . . . . 0.0 110.287 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 77.47 36.0 35.33 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . 0.525 ' HB2' ' CB ' ' A' ' 677' ' ' CYS . 0.0 OUTLIER -89.83 169.56 11.15 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.179 -1.189 . . . . 0.0 110.14 179.864 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 667' ' ' LEU . . . . . 0.748 HD13 ' C ' ' A' ' 667' ' ' LEU . 3.3 tm? -129.17 117.26 20.48 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.192 -0.942 . . . . 0.0 110.519 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 668' ' ' VAL . . . . . 0.49 ' N ' HD13 ' A' ' 667' ' ' LEU . 2.0 m -133.66 155.18 39.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.202 -0.936 . . . . 0.0 109.93 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 669' ' ' THR . . . . . 0.45 ' OG1' ' HA ' ' A' ' 655' ' ' ALA . 40.1 p -138.01 132.5 32.32 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.095 -1.003 . . . . 0.0 110.418 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 670' ' ' TYR . . . . . 0.599 ' CE2' ' HA ' ' A' ' 688' ' ' GLU . 58.0 m-85 -92.61 -173.09 3.25 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.254 -0.904 . . . . 0.0 110.1 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . 0.48 ' C ' ' O ' ' A' ' 670' ' ' TYR . 1.8 m120 -32.09 -37.93 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.836 -0.54 . . . . 0.0 111.315 -179.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 672' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 670' ' ' TYR . . . -162.76 38.77 0.35 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 673' ' ' LYS . . . . . 0.472 ' HB3' ' CE2' ' A' ' 675' ' ' TYR . 52.6 mttt -133.77 161.25 35.22 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.131 -1.217 . . . . 0.0 110.677 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 674' ' ' THR . . . . . . . . . . . . . 80.0 m -126.7 127.73 45.58 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.437 -0.789 . . . . 0.0 109.677 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 675' ' ' TYR . . . . . 0.614 ' CE1' ' CB ' ' A' ' 698' ' ' LEU . 93.1 m-85 -130.32 167.55 18.33 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.177 -0.952 . . . . 0.0 111.13 -179.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . 0.507 ' HD2' HD23 ' A' ' 667' ' ' LEU . 0.0 OUTLIER -139.52 102.47 4.47 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.653 -0.654 . . . . 0.0 109.986 -179.697 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . 0.525 ' CB ' ' HB2' ' A' ' 666' ' ' GLN . 0.1 OUTLIER -52.6 142.41 18.21 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.14 -0.975 . . . . 0.0 110.246 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.421 ' O ' ' HB1' ' A' ' 664' ' ' ALA . 0.3 OUTLIER -110.76 -29.0 8.17 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.387 -0.821 . . . . 0.0 110.148 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 679' ' ' GLN . . . . . 0.544 ' HB3' ' NE2' ' A' ' 681' ' ' HIS . 20.3 mt-30 -133.0 148.62 70.14 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.222 -0.924 . . . . 0.0 110.019 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 680' ' ' PRO . . . . . 0.878 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.0 Cg_exo -59.77 102.31 0.17 Allowed 'Trans proline' 0 C--N 1.311 -1.413 0 O-C-N 123.59 1.31 . . . . 0.0 110.336 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 681' ' ' HIS . . . . . 0.544 ' NE2' ' HB3' ' A' ' 679' ' ' GLN . 22.0 m-70 -136.95 -167.04 2.01 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.16 -0.962 . . . . 0.0 110.485 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 682' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 660' ' ' THR . 96.8 m -126.37 128.4 47.0 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.318 -0.864 . . . . 0.0 110.412 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.9 140.81 33.87 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.34 -0.85 . . . . 0.0 109.864 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . 0.707 ' H ' HD23 ' A' ' 684' ' ' LEU . 1.2 pt? -148.97 177.84 9.21 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.205 -0.934 . . . . 0.0 110.686 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -62.45 73.99 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.436 -0.79 . . . . 0.0 110.162 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 686' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 177.67 -39.59 0.09 OUTLIER Glycine 0 N--CA 1.489 2.173 0 N-CA-C 109.169 -1.572 . . . . 0.0 109.169 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 687' ' ' TRP . . . . . 0.401 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 48.0 m0 -89.6 38.82 0.92 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.344 -1.092 . . . . 0.0 109.796 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 688' ' ' GLU . . . . . 0.599 ' HA ' ' CE2' ' A' ' 670' ' ' TYR . 1.6 mt-10 -89.56 -48.98 0.39 Allowed Pre-proline 0 N--CA 1.494 1.762 0 O-C-N 121.237 -0.915 . . . . 0.0 110.516 -179.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 689' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.7 Cg_endo -69.71 -5.74 16.9 Favored 'Trans proline' 0 C--N 1.312 -1.348 0 O-C-N 123.299 1.157 . . . . 0.0 109.99 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 690' ' ' SER . . . . . 0.563 ' CB ' ' CE1' ' A' ' 675' ' ' TYR . 1.7 p 61.11 49.5 5.58 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.319 -0.863 . . . . 0.0 109.818 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 691' ' ' ASN . . . . . 0.741 ' OD1' HG13 ' A' ' 692' ' ' VAL . 13.5 p30 -83.48 15.56 3.01 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.361 -0.837 . . . . 0.0 110.439 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 692' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 692' ' ' VAL . 19.7 m -137.28 81.58 31.12 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.287 -0.883 . . . . 0.0 110.06 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 693' ' ' PRO . . . . . 0.454 ' HA ' ' O ' ' A' ' 696' ' ' TRP . 3.1 Cg_exo -59.54 -18.99 49.99 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.674 1.355 . . . . 0.0 110.498 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 694' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 693' ' ' PRO . . . -44.53 -35.07 2.34 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.283 -0.886 . . . . 0.0 109.843 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 695' ' ' LEU . . . . . 0.751 ' C ' HD12 ' A' ' 695' ' ' LEU . 3.1 pp -134.52 -3.24 2.67 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.374 -0.829 . . . . 0.0 110.552 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 696' ' ' TRP . . . . . 0.746 ' N ' HD12 ' A' ' 695' ' ' LEU . 1.7 m95 -116.42 105.71 12.81 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.035 -1.041 . . . . 0.0 110.345 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -103.18 105.95 16.36 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.205 -0.934 . . . . 0.0 109.648 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . 0.994 HD12 ' N ' ' A' ' 699' ' ' GLN . 0.4 OUTLIER -94.05 175.95 6.51 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.08 -1.012 . . . . 0.0 111.049 -179.203 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 699' ' ' GLN . . . . . 0.994 ' N ' HD12 ' A' ' 698' ' ' LEU . 15.1 pt20 . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.468 -0.77 . . . . 0.0 110.216 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . 0.45 ' HA ' ' OG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.281 0.562 . . . . 0.0 110.239 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 656' ' ' TRP . . . . . 0.453 ' CH2' ' HB ' ' A' ' 658' ' ' VAL . 88.2 t90 -86.47 153.61 21.74 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.116 -0.99 . . . . 0.0 110.251 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 657' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 656' ' ' TRP . 29.3 mt-30 -149.92 115.62 5.57 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.269 -0.894 . . . . 0.0 109.851 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 658' ' ' VAL . . . . . 0.453 ' HB ' ' CH2' ' A' ' 656' ' ' TRP . 12.1 p -48.04 155.79 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.315 -0.865 . . . . 0.0 110.561 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 51.41 59.61 4.46 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.49 -0.756 . . . . 0.0 110.453 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 660' ' ' THR . . . . . 0.639 ' CG2' ' CE1' ' A' ' 662' ' ' TYR . 84.3 m -140.35 138.37 34.81 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.159 -0.963 . . . . 0.0 110.227 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -87.36 128.07 35.2 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.243 -0.911 . . . . 0.0 110.095 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 662' ' ' TYR . . . . . 0.639 ' CE1' ' CG2' ' A' ' 660' ' ' THR . 20.5 m-85 -119.64 150.82 39.7 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.221 -0.924 . . . . 0.0 110.454 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 21.7 p -103.61 149.03 25.3 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.354 -0.841 . . . . 0.0 109.788 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 664' ' ' ALA . . . . . 1.01 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -49.84 127.45 16.22 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.133 -0.979 . . . . 0.0 110.284 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 99.37 18.14 24.69 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.72 -1.352 . . . . 0.0 109.72 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.34 -179.03 5.76 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.251 -1.146 . . . . 0.0 110.026 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 667' ' ' LEU . . . . . 0.638 HD23 ' C ' ' A' ' 667' ' ' LEU . 4.4 tt -151.1 116.32 5.33 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.188 -0.945 . . . . 0.0 110.242 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 668' ' ' VAL . . . . . 0.573 ' N ' HD23 ' A' ' 667' ' ' LEU . 4.4 m -116.68 163.97 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.245 -0.909 . . . . 0.0 110.1 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 669' ' ' THR . . . . . 0.479 ' HA ' ' O ' ' A' ' 673' ' ' LYS . 62.6 p -140.03 125.78 19.39 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.173 -0.954 . . . . 0.0 110.318 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 670' ' ' TYR . . . . . 0.53 ' CZ ' ' O ' ' A' ' 688' ' ' GLU . 97.4 m-85 -88.63 -172.14 3.62 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.222 -0.924 . . . . 0.0 110.214 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . 0.495 ' C ' ' O ' ' A' ' 670' ' ' TYR . 3.0 t-20 -29.6 -38.42 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.997 0 CA-C-O 121.219 0.533 . . . . 0.0 111.397 -179.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 672' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 670' ' ' TYR . . . -166.81 44.35 0.26 Allowed Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.419 -1.473 . . . . 0.0 109.419 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 673' ' ' LYS . . . . . 0.479 ' O ' ' HA ' ' A' ' 669' ' ' THR . 11.1 mmtp -137.61 152.93 49.89 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.209 -1.171 . . . . 0.0 110.636 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 674' ' ' THR . . . . . 0.486 ' O ' ' HA ' ' A' ' 698' ' ' LEU . 7.2 m -112.45 133.9 54.27 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.456 -0.778 . . . . 0.0 110.028 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 675' ' ' TYR . . . . . 0.615 ' CE1' ' HB3' ' A' ' 698' ' ' LEU . 67.5 m-85 -136.99 158.55 44.2 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.373 -0.829 . . . . 0.0 110.54 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 697' ' ' GLN . 0.1 OUTLIER -133.86 105.27 6.68 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.511 -0.743 . . . . 0.0 110.099 -179.853 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 695' ' ' LEU . 0.1 OUTLIER -60.38 132.97 55.57 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.218 -0.926 . . . . 0.0 110.192 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.69 3.1 14.65 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.21 -0.931 . . . . 0.0 110.371 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 679' ' ' GLN . . . . . 0.548 ' HB3' ' CD2' ' A' ' 681' ' ' HIS . 9.4 mt-30 -148.35 138.82 13.12 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.128 -0.983 . . . . 0.0 110.434 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 680' ' ' PRO . . . . . 1.01 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 2.9 Cg_endo -62.32 99.36 0.2 Allowed 'Trans proline' 0 C--N 1.314 -1.26 0 O-C-N 123.498 1.262 . . . . 0.0 110.445 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 681' ' ' HIS . . . . . 0.548 ' CD2' ' HB3' ' A' ' 679' ' ' GLN . 29.8 m-70 -142.73 -179.66 6.46 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.162 -0.961 . . . . 0.0 110.212 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 78.4 m -115.24 129.39 56.62 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.246 -0.909 . . . . 0.0 110.307 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.25 146.86 28.33 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.223 -0.923 . . . . 0.0 110.199 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . 0.723 ' H ' HD23 ' A' ' 684' ' ' LEU . 1.2 pt? -154.81 -178.59 7.32 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.412 -0.805 . . . . 0.0 110.16 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -58.26 81.43 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.355 -0.84 . . . . 0.0 110.091 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 686' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 164.96 -45.31 0.29 Allowed Glycine 0 N--CA 1.488 2.131 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 45.9 m0 -86.57 30.48 0.72 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.084 -1.245 . . . . 0.0 110.312 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 688' ' ' GLU . . . . . 0.618 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.1 mt-10 -85.86 -47.68 0.57 Allowed Pre-proline 0 N--CA 1.496 1.83 0 O-C-N 121.137 -0.977 . . . . 0.0 110.254 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 689' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.6 Cg_endo -69.53 -3.97 12.93 Favored 'Trans proline' 0 C--N 1.315 -1.2 0 O-C-N 123.272 1.143 . . . . 0.0 110.386 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 690' ' ' SER . . . . . 0.509 ' CB ' ' CE1' ' A' ' 675' ' ' TYR . 1.2 p 71.06 59.41 0.18 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.29 -0.881 . . . . 0.0 109.757 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -80.18 1.11 29.54 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.218 -0.926 . . . . 0.0 111.179 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 692' ' ' VAL . . . . . 0.597 HG21 HD21 ' A' ' 695' ' ' LEU . 9.1 m -132.61 87.77 40.63 Favored Pre-proline 0 N--CA 1.494 1.729 0 O-C-N 121.011 -1.056 . . . . 0.0 110.231 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -59.5 -34.75 97.02 Favored 'Trans proline' 0 C--N 1.31 -1.45 0 O-C-N 123.79 1.416 . . . . 0.0 110.516 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -44.87 -26.8 0.45 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.19 -0.944 . . . . 0.0 109.893 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 695' ' ' LEU . . . . . 0.647 ' C ' HD12 ' A' ' 695' ' ' LEU . 4.6 pp -129.59 -1.3 4.9 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.365 -0.835 . . . . 0.0 110.125 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 696' ' ' TRP . . . . . 0.527 ' CD1' HD11 ' A' ' 695' ' ' LEU . 0.9 OUTLIER -119.45 98.24 6.04 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.222 -0.924 . . . . 0.0 110.045 179.552 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 697' ' ' GLN . . . . . 0.422 ' O ' ' HB2' ' A' ' 676' ' ' LYS . 24.2 tp60 -99.33 98.38 9.33 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.059 -1.026 . . . . 0.0 109.394 179.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . 1.024 HD12 ' N ' ' A' ' 699' ' ' GLN . 0.8 OUTLIER -91.33 175.4 6.94 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.228 -0.92 . . . . 0.0 111.281 -179.01 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 699' ' ' GLN . . . . . 1.024 ' N ' HD12 ' A' ' 698' ' ' LEU . 2.4 pt20 . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.641 -0.662 . . . . 0.0 110.208 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . 0.43 ' HA ' ' OG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.221 0.534 . . . . 0.0 110.156 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 656' ' ' TRP . . . . . 0.613 ' CD2' ' CE2' ' A' ' 670' ' ' TYR . 77.6 t90 -55.56 135.09 51.14 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.233 -0.917 . . . . 0.0 110.279 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -123.54 135.43 54.01 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.262 -0.899 . . . . 0.0 110.18 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 658' ' ' VAL . . . . . . . . . . . . . 14.5 p -76.4 158.54 5.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.265 -0.897 . . . . 0.0 110.213 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 27.1 t30 53.84 57.59 5.89 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.285 -0.884 . . . . 0.0 110.136 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 660' ' ' THR . . . . . 0.746 ' O ' HG23 ' A' ' 682' ' ' THR . 62.2 m -138.05 169.35 17.95 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.305 -0.872 . . . . 0.0 110.38 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . 0.51 ' N ' HG22 ' A' ' 660' ' ' THR . . . -112.03 115.34 28.75 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.29 -0.881 . . . . 0.0 110.251 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 662' ' ' TYR . . . . . 0.475 ' HE2' ' HG ' ' A' ' 683' ' ' SER . 20.0 m-85 -109.26 155.14 21.49 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.272 -0.892 . . . . 0.0 110.065 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.64 -167.31 1.45 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.227 -0.92 . . . . 0.0 110.368 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 664' ' ' ALA . . . . . 0.852 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -90.32 63.74 5.78 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.244 -0.91 . . . . 0.0 110.518 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 155.89 36.79 0.02 OUTLIER Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.72 -1.352 . . . . 0.0 109.72 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . 0.481 ' HB2' ' CB ' ' A' ' 677' ' ' CYS . 1.0 OUTLIER -90.66 -177.18 4.94 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.175 -1.191 . . . . 0.0 110.361 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 48.6 mt -143.64 91.98 2.3 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.277 -0.889 . . . . 0.0 110.189 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 668' ' ' VAL . . . . . . . . . . . . . 2.8 m -100.55 168.7 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.297 -0.877 . . . . 0.0 110.224 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 669' ' ' THR . . . . . 0.516 ' HA ' ' O ' ' A' ' 673' ' ' LYS . 24.0 p -140.91 117.07 10.59 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.134 -0.979 . . . . 0.0 109.901 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 670' ' ' TYR . . . . . 0.613 ' CE2' ' CD2' ' A' ' 656' ' ' TRP . 89.4 m-85 -84.29 96.37 9.0 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.944 -1.097 . . . . 0.0 110.225 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . 0.457 ' HB2' ' O ' ' A' ' 670' ' ' TYR . 2.0 m-80 57.99 -82.21 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.369 -0.832 . . . . 0.0 109.997 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 672' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 670' ' ' TYR . . . -126.2 32.27 3.81 Favored Glycine 0 N--CA 1.489 2.176 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 673' ' ' LYS . . . . . 0.516 ' O ' ' HA ' ' A' ' 669' ' ' THR . 3.9 mttt -124.95 148.02 48.59 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.143 -1.21 . . . . 0.0 110.239 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 674' ' ' THR . . . . . 0.491 ' O ' ' HB2' ' A' ' 698' ' ' LEU . 95.5 m -106.72 121.3 44.08 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.348 -0.845 . . . . 0.0 110.362 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 675' ' ' TYR . . . . . 0.59 ' CE2' ' HB3' ' A' ' 698' ' ' LEU . 25.9 m-85 -130.28 160.52 33.65 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.275 -0.89 . . . . 0.0 110.529 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . 0.751 ' HE2' HD21 ' A' ' 678' ' ' LEU . 0.2 OUTLIER -140.44 131.9 26.93 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.334 -0.854 . . . . 0.0 109.76 179.352 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . 0.52 ' O ' ' N ' ' A' ' 665' ' ' GLY . 0.5 OUTLIER -75.76 136.75 40.29 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.22 -0.925 . . . . 0.0 110.141 -179.754 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.751 HD21 ' HE2' ' A' ' 676' ' ' LYS . 0.8 OUTLIER -117.33 -5.24 11.3 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.284 -0.885 . . . . 0.0 110.136 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 679' ' ' GLN . . . . . 0.515 ' HB3' ' CD2' ' A' ' 681' ' ' HIS . 4.0 tt0 -142.94 143.42 25.16 Favored Pre-proline 0 N--CA 1.492 1.671 0 O-C-N 121.239 -0.913 . . . . 0.0 110.162 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 680' ' ' PRO . . . . . 0.852 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 2.9 Cg_endo -61.79 101.36 0.22 Allowed 'Trans proline' 0 C--N 1.313 -1.29 0 O-C-N 123.5 1.263 . . . . 0.0 110.589 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 681' ' ' HIS . . . . . 0.563 ' HD2' HD22 ' A' ' 695' ' ' LEU . 11.3 m-70 -144.86 -169.3 3.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.189 -0.944 . . . . 0.0 110.26 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 682' ' ' THR . . . . . 0.746 HG23 ' O ' ' A' ' 660' ' ' THR . 33.9 m -131.07 127.05 37.42 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.319 -0.863 . . . . 0.0 110.207 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 683' ' ' SER . . . . . 0.475 ' HG ' ' HE2' ' A' ' 662' ' ' TYR . 28.9 m -71.74 146.72 47.95 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.248 -0.908 . . . . 0.0 110.235 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . 0.552 ' H ' HD23 ' A' ' 684' ' ' LEU . 1.1 pt? -150.24 173.96 13.36 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.166 -0.959 . . . . 0.0 110.38 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -63.69 72.16 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.231 -0.918 . . . . 0.0 110.308 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 686' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 177.36 -31.99 0.08 OUTLIER Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -88.64 39.34 0.91 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.22 -1.165 . . . . 0.0 110.379 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 688' ' ' GLU . . . . . 0.577 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.7 mt-10 -89.34 -49.0 0.4 Allowed Pre-proline 0 N--CA 1.493 1.713 0 O-C-N 121.161 -0.962 . . . . 0.0 110.523 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 689' ' ' PRO . . . . . 0.577 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.3 Cg_endo -71.32 -2.56 11.41 Favored 'Trans proline' 0 C--N 1.315 -1.231 0 O-C-N 123.16 1.084 . . . . 0.0 110.38 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 690' ' ' SER . . . . . 0.487 ' O ' ' OG ' ' A' ' 690' ' ' SER . 1.4 p 69.9 62.04 0.25 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.446 -0.784 . . . . 0.0 109.808 -179.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -79.41 1.83 23.98 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.21 -0.932 . . . . 0.0 110.735 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 692' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 692' ' ' VAL . 29.3 m -135.17 77.23 55.65 Favored Pre-proline 0 N--CA 1.494 1.729 0 O-C-N 121.14 -0.975 . . . . 0.0 110.032 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -59.78 -26.28 81.77 Favored 'Trans proline' 0 C--N 1.311 -1.406 0 O-C-N 123.691 1.364 . . . . 0.0 110.732 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -51.34 -25.28 5.74 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.186 -0.946 . . . . 0.0 110.034 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 695' ' ' LEU . . . . . 0.901 HD12 ' N ' ' A' ' 696' ' ' TRP . 4.0 pp -128.08 -16.93 4.45 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.298 -0.877 . . . . 0.0 110.643 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 696' ' ' TRP . . . . . 0.901 ' N ' HD12 ' A' ' 695' ' ' LEU . 0.3 OUTLIER -104.15 94.0 5.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.032 -1.043 . . . . 0.0 110.156 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 697' ' ' GLN . . . . . 0.481 ' HB3' ' HG2' ' A' ' 676' ' ' LYS . 2.4 tp60 -99.81 113.23 25.6 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.17 -0.956 . . . . 0.0 109.891 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . 0.758 HD12 ' N ' ' A' ' 699' ' ' GLN . 1.1 pp -104.32 -169.99 1.7 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.157 -0.965 . . . . 0.0 110.698 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 699' ' ' GLN . . . . . 0.758 ' N ' HD12 ' A' ' 698' ' ' LEU . 5.8 pt20 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.379 -0.825 . . . . 0.0 110.082 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . 0.448 ' HA ' ' OG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.256 0.55 . . . . 0.0 110.248 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 656' ' ' TRP . . . . . 0.686 ' CD2' ' CE2' ' A' ' 670' ' ' TYR . 73.6 t90 -60.86 145.24 50.79 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.216 -0.928 . . . . 0.0 110.23 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -137.67 133.23 34.01 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.22 -0.925 . . . . 0.0 110.233 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 658' ' ' VAL . . . . . 0.447 ' O ' ' HB2' ' A' ' 659' ' ' ASN . 17.5 m -60.64 154.3 4.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.246 -0.909 . . . . 0.0 110.301 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 659' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' A' ' 658' ' ' VAL . 12.1 m120 56.55 55.67 6.26 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.303 -0.873 . . . . 0.0 110.211 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 660' ' ' THR . . . . . 0.425 ' O ' ' OG ' ' A' ' 683' ' ' SER . 89.5 m -139.78 124.49 18.36 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.197 -0.939 . . . . 0.0 110.397 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -71.82 130.04 40.11 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.313 -0.867 . . . . 0.0 110.27 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 662' ' ' TYR . . . . . 0.436 ' CD2' ' OG ' ' A' ' 683' ' ' SER . 10.8 m-85 -122.23 166.07 15.2 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.194 -0.941 . . . . 0.0 109.881 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.82 -167.47 1.19 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.183 -0.948 . . . . 0.0 110.353 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 664' ' ' ALA . . . . . 0.849 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -86.91 127.92 35.06 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.335 -0.853 . . . . 0.0 110.409 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 81.46 38.46 14.55 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.792 -1.323 . . . . 0.0 109.792 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . 0.51 ' O ' ' HA ' ' A' ' 676' ' ' LYS . 0.0 OUTLIER -88.18 174.43 8.23 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.182 -1.187 . . . . 0.0 109.885 179.812 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -133.23 89.17 2.57 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.176 -0.952 . . . . 0.0 110.543 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 668' ' ' VAL . . . . . . . . . . . . . 3.0 m -100.01 167.92 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.178 -0.951 . . . . 0.0 109.696 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 669' ' ' THR . . . . . 0.502 ' HA ' ' O ' ' A' ' 673' ' ' LYS . 1.3 p -140.39 114.06 8.78 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.087 -1.008 . . . . 0.0 110.194 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 670' ' ' TYR . . . . . 0.686 ' CE2' ' CD2' ' A' ' 656' ' ' TRP . 77.0 m-85 -83.3 -159.45 0.35 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.257 -0.902 . . . . 0.0 109.86 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -46.3 93.81 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.113 -0.992 . . . . 0.0 109.725 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 672' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 670' ' ' TYR . . . 50.16 24.98 7.34 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.072 -1.611 . . . . 0.0 109.072 -179.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 673' ' ' LYS . . . . . 0.502 ' O ' ' HA ' ' A' ' 669' ' ' THR . 0.1 OUTLIER -109.26 142.46 40.08 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.354 -1.086 . . . . 0.0 110.571 -179.687 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 674' ' ' THR . . . . . . . . . . . . . 2.8 m -101.33 116.69 33.37 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.412 -0.805 . . . . 0.0 109.593 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 675' ' ' TYR . . . . . 0.6 ' CE2' ' HB3' ' A' ' 698' ' ' LEU . 19.1 m-85 -130.05 157.74 41.53 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.987 -1.071 . . . . 0.0 111.214 -179.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . 0.51 ' HA ' ' O ' ' A' ' 666' ' ' GLN . 0.0 OUTLIER -140.9 126.69 19.16 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.527 -0.733 . . . . 0.0 109.417 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.77 160.51 28.34 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.144 -0.973 . . . . 0.0 110.359 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.59 ' O ' ' HB1' ' A' ' 664' ' ' ALA . 0.9 OUTLIER -124.29 -28.84 3.62 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.24 -0.912 . . . . 0.0 110.692 -179.876 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 679' ' ' GLN . . . . . 0.546 ' HB3' ' NE2' ' A' ' 681' ' ' HIS . 42.8 mm-40 -126.74 146.44 57.12 Favored Pre-proline 0 N--CA 1.493 1.715 0 O-C-N 121.153 -0.967 . . . . 0.0 110.557 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 680' ' ' PRO . . . . . 0.849 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.0 Cg_exo -62.94 116.0 3.29 Favored 'Trans proline' 0 C--N 1.314 -1.263 0 O-C-N 123.632 1.333 . . . . 0.0 110.89 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 681' ' ' HIS . . . . . 0.546 ' NE2' ' HB3' ' A' ' 679' ' ' GLN . 89.2 m-70 -155.42 -156.58 0.66 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.232 -0.917 . . . . 0.0 110.258 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 682' ' ' THR . . . . . 0.571 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 20.6 m -131.4 127.84 38.34 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.22 -0.925 . . . . 0.0 110.299 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 683' ' ' SER . . . . . 0.447 ' HB2' ' CZ2' ' A' ' 656' ' ' TRP . 0.0 OUTLIER -85.24 138.93 32.02 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.32 -0.863 . . . . 0.0 109.762 179.63 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . 0.589 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.7 OUTLIER -141.77 -178.25 5.58 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.321 -0.862 . . . . 0.0 110.693 -179.716 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -64.4 74.91 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.362 -0.836 . . . . 0.0 110.229 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 686' ' ' GLY . . . . . 0.478 ' O ' ' HD2' ' A' ' 689' ' ' PRO . . . 174.72 -32.46 0.1 OUTLIER Glycine 0 N--CA 1.487 2.099 0 N-CA-C 109.44 -1.464 . . . . 0.0 109.44 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 687' ' ' TRP . . . . . 0.571 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 40.7 m0 -85.68 30.89 0.62 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.241 -1.152 . . . . 0.0 110.399 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 688' ' ' GLU . . . . . 0.614 ' HA ' ' CE2' ' A' ' 670' ' ' TYR . 2.6 mt-10 -87.38 -47.01 0.49 Allowed Pre-proline 0 N--CA 1.494 1.74 0 O-C-N 120.965 -1.085 . . . . 0.0 110.642 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 689' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.6 Cg_endo -70.65 -0.82 8.24 Favored 'Trans proline' 0 C--N 1.315 -1.215 0 O-C-N 123.173 1.091 . . . . 0.0 110.515 179.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 690' ' ' SER . . . . . 0.471 ' O ' ' OG ' ' A' ' 690' ' ' SER . 2.3 p 61.68 56.62 2.43 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.229 -0.919 . . . . 0.0 109.74 -179.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 691' ' ' ASN . . . . . 0.406 ' OD1' ' HB2' ' A' ' 689' ' ' PRO . 6.7 m-20 -79.72 4.05 17.45 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.22 -0.925 . . . . 0.0 110.501 -179.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 692' ' ' VAL . . . . . 0.72 HG23 HD11 ' A' ' 695' ' ' LEU . 18.2 m -138.06 82.53 24.7 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.066 -1.021 . . . . 0.0 110.47 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -60.89 -17.39 50.69 Favored 'Trans proline' 0 C--N 1.312 -1.375 0 O-C-N 123.628 1.331 . . . . 0.0 110.386 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -52.81 -35.95 57.76 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.265 -0.897 . . . . 0.0 109.931 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 695' ' ' LEU . . . . . 0.892 HD12 ' N ' ' A' ' 696' ' ' TRP . 1.3 pp -127.44 -4.49 6.03 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.307 -0.871 . . . . 0.0 110.057 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 696' ' ' TRP . . . . . 0.892 ' N ' HD12 ' A' ' 695' ' ' LEU . 1.1 m95 -116.44 89.63 3.15 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.19 -0.944 . . . . 0.0 110.358 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 697' ' ' GLN . . . . . 0.501 ' HB3' ' CD ' ' A' ' 676' ' ' LYS . 0.9 OUTLIER -99.17 113.21 25.34 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.153 -0.967 . . . . 0.0 109.422 179.61 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . 0.6 ' HB3' ' CE2' ' A' ' 675' ' ' TYR . 0.6 OUTLIER -91.5 177.54 6.2 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.24 -0.912 . . . . 0.0 110.852 -179.258 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 699' ' ' GLN . . . . . 0.487 ' HG2' ' O ' ' A' ' 698' ' ' LEU . 30.5 mt-30 . . . . . 0 N--CA 1.492 1.625 0 O-C-N 121.551 -0.718 . . . . 0.0 110.214 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . 0.522 ' HB1' ' O ' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.169 0.509 . . . . 0.0 110.207 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 656' ' ' TRP . . . . . 0.635 ' CD2' ' CE1' ' A' ' 670' ' ' TYR . 56.6 t90 -55.23 151.39 9.65 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.163 -0.961 . . . . 0.0 110.051 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -127.3 139.52 52.83 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.267 -0.896 . . . . 0.0 110.109 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 658' ' ' VAL . . . . . 0.459 ' HA ' ' CZ2' ' A' ' 656' ' ' TRP . 13.9 p -77.92 158.76 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.143 -0.973 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 50.68 56.07 8.54 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.27 -0.894 . . . . 0.0 109.998 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 660' ' ' THR . . . . . 0.416 HG22 ' N ' ' A' ' 661' ' ' ALA . 50.7 m -135.72 164.24 28.33 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.219 -0.925 . . . . 0.0 110.425 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . 0.416 ' N ' HG22 ' A' ' 660' ' ' THR . . . -106.12 115.52 30.37 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.302 -0.874 . . . . 0.0 110.086 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -111.68 154.18 25.33 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.175 -0.953 . . . . 0.0 110.368 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 1.3 p -102.13 178.69 4.53 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.283 -0.886 . . . . 0.0 109.996 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 664' ' ' ALA . . . . . 0.985 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -77.07 125.65 29.67 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.16 -0.962 . . . . 0.0 110.166 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 93.53 30.01 9.53 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . 0.548 ' CB ' ' HB2' ' A' ' 677' ' ' CYS . 0.9 OUTLIER -90.2 174.54 7.56 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.321 -1.106 . . . . 0.0 110.143 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 667' ' ' LEU . . . . . 0.445 HD23 ' C ' ' A' ' 667' ' ' LEU . 2.5 tt -132.74 102.96 5.87 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.267 -0.896 . . . . 0.0 110.286 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 668' ' ' VAL . . . . . 0.454 ' HB ' ' HB2' ' A' ' 656' ' ' TRP . 2.9 m -111.31 171.71 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.252 -0.905 . . . . 0.0 109.973 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 669' ' ' THR . . . . . 0.522 ' O ' ' HB1' ' A' ' 655' ' ' ALA . 1.4 p -140.63 124.06 16.86 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.135 -0.978 . . . . 0.0 109.877 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 670' ' ' TYR . . . . . 0.635 ' CE1' ' CD2' ' A' ' 656' ' ' TRP . 27.0 m-85 -99.03 93.92 6.25 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.027 -1.045 . . . . 0.0 110.923 -179.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 2.4 m120 42.76 82.62 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.261 -0.9 . . . . 0.0 111.012 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . 73.02 -0.38 46.67 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 673' ' ' LYS . . . . . 0.502 ' O ' ' HA ' ' A' ' 669' ' ' THR . 22.8 mmtt -104.1 149.47 25.18 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.941 -1.329 . . . . 0.0 110.385 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 674' ' ' THR . . . . . 0.76 ' O ' HD12 ' A' ' 698' ' ' LEU . 52.2 m -115.26 115.63 26.98 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.225 -0.922 . . . . 0.0 110.276 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 675' ' ' TYR . . . . . 0.882 ' CZ ' HD13 ' A' ' 698' ' ' LEU . 28.6 m-85 -124.22 167.15 14.68 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.288 -0.882 . . . . 0.0 110.224 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 697' ' ' GLN . 1.7 mptt -140.08 124.73 18.18 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.26 -0.9 . . . . 0.0 110.064 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . 0.548 ' HB2' ' CB ' ' A' ' 666' ' ' GLN . 0.1 OUTLIER -67.18 142.46 57.0 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.255 -0.903 . . . . 0.0 110.341 -179.765 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.702 ' O ' HD23 ' A' ' 678' ' ' LEU . 2.1 tt -116.21 -23.45 8.41 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.264 -0.897 . . . . 0.0 110.268 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 679' ' ' GLN . . . . . 0.457 ' HA ' ' HD3' ' A' ' 680' ' ' PRO . 19.4 mt-30 -132.16 142.09 43.79 Favored Pre-proline 0 N--CA 1.492 1.636 0 O-C-N 121.189 -0.944 . . . . 0.0 110.423 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 680' ' ' PRO . . . . . 0.985 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 2.8 Cg_endo -64.36 104.15 0.5 Allowed 'Trans proline' 0 C--N 1.313 -1.308 0 O-C-N 123.57 1.3 . . . . 0.0 110.463 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 681' ' ' HIS . . . . . 0.512 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 19.1 m-70 -149.38 -163.17 1.72 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.31 -0.869 . . . . 0.0 110.301 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 98.5 m -119.02 135.22 54.74 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.22 -0.925 . . . . 0.0 110.586 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 5.9 p -87.51 139.03 30.96 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.243 -0.911 . . . . 0.0 109.582 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . 0.79 ' H ' HD23 ' A' ' 684' ' ' LEU . 1.8 pt? -147.74 172.06 14.69 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.19 -0.944 . . . . 0.0 111.001 -179.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -60.51 77.38 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.504 -0.747 . . . . 0.0 109.973 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 686' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 175.55 -43.44 0.12 Allowed Glycine 0 N--CA 1.487 2.074 0 N-CA-C 108.424 -1.87 . . . . 0.0 108.424 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 44.7 m0 -87.97 32.58 0.74 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.35 -1.088 . . . . 0.0 109.918 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 688' ' ' GLU . . . . . 0.616 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.6 mt-10 -88.56 -46.38 0.45 Allowed Pre-proline 0 N--CA 1.495 1.803 0 O-C-N 121.38 -0.825 . . . . 0.0 111.041 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 689' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.9 Cg_endo -68.1 -6.31 16.88 Favored 'Trans proline' 0 C--N 1.315 -1.204 0 O-C-N 123.239 1.126 . . . . 0.0 110.242 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 690' ' ' SER . . . . . 0.574 ' CB ' ' CE1' ' A' ' 675' ' ' TYR . 1.2 p 67.03 41.39 2.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.392 -0.818 . . . . 0.0 110.044 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 691' ' ' ASN . . . . . 0.844 ' OD1' HG13 ' A' ' 692' ' ' VAL . 19.0 p30 -79.7 4.95 14.64 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.224 -0.923 . . . . 0.0 110.166 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 692' ' ' VAL . . . . . 0.844 HG13 ' OD1' ' A' ' 691' ' ' ASN . 16.8 m -125.18 78.88 66.6 Favored Pre-proline 0 N--CA 1.491 1.625 0 O-C-N 121.229 -0.92 . . . . 0.0 110.275 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -60.41 -16.4 41.43 Favored 'Trans proline' 0 C--N 1.311 -1.429 0 O-C-N 123.616 1.324 . . . . 0.0 110.554 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -56.46 -35.56 68.05 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.207 -0.933 . . . . 0.0 110.279 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 695' ' ' LEU . . . . . 1.059 ' O ' HD22 ' A' ' 695' ' ' LEU . 0.0 OUTLIER -122.38 -10.9 8.41 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.291 -0.881 . . . . 0.0 110.318 -179.727 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 696' ' ' TRP . . . . . 1.044 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.2 OUTLIER -99.48 145.9 26.95 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.136 -0.977 . . . . 0.0 110.44 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 697' ' ' GLN . . . . . 0.481 ' O ' ' HB2' ' A' ' 676' ' ' LYS . 8.8 tt0 -134.48 82.2 1.95 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.414 -0.804 . . . . 0.0 109.718 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . 0.882 HD13 ' CZ ' ' A' ' 675' ' ' TYR . 35.2 tp -58.24 152.67 16.74 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.29 -0.881 . . . . 0.0 110.483 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 699' ' ' GLN . . . . . 0.456 ' HG3' ' HD3' ' A' ' 676' ' ' LYS . 11.6 mm100 . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.339 -0.851 . . . . 0.0 110.192 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . 0.481 ' HA ' ' OG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 121.231 0.538 . . . . 0.0 110.158 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 656' ' ' TRP . . . . . 0.656 ' CD2' ' CE2' ' A' ' 670' ' ' TYR . 51.9 t90 -58.9 150.9 23.0 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.246 -0.909 . . . . 0.0 110.237 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 657' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 658' ' ' VAL . 45.5 mt-30 -146.88 101.28 3.42 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.29 -0.881 . . . . 0.0 110.205 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 658' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 657' ' ' GLN . 2.7 p -43.17 148.27 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.109 -0.995 . . . . 0.0 110.18 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 2.9 t30 61.65 59.73 1.76 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.215 -0.928 . . . . 0.0 109.876 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 660' ' ' THR . . . . . 0.624 ' O ' HG23 ' A' ' 682' ' ' THR . 3.2 m -139.01 159.54 41.9 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.115 -0.991 . . . . 0.0 110.447 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -101.22 103.4 14.42 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.349 -0.844 . . . . 0.0 109.91 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -99.79 140.99 33.19 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.224 -0.922 . . . . 0.0 110.282 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 663' ' ' THR . . . . . 0.472 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 31.4 p -102.11 158.65 16.01 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.289 -0.882 . . . . 0.0 109.931 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 664' ' ' ALA . . . . . 0.914 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -49.64 140.3 11.31 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.212 -0.93 . . . . 0.0 110.384 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 73.4 30.59 62.24 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.774 -1.331 . . . . 0.0 109.774 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . 0.548 ' HB2' ' CB ' ' A' ' 677' ' ' CYS . 0.4 OUTLIER -84.45 -175.41 5.77 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.214 -1.168 . . . . 0.0 110.112 179.768 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 667' ' ' LEU . . . . . 0.495 ' HA ' HD23 ' A' ' 667' ' ' LEU . 7.3 mt -147.87 109.05 4.28 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.119 -0.988 . . . . 0.0 110.497 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 668' ' ' VAL . . . . . . . . . . . . . 3.0 m -120.69 163.27 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.273 -0.892 . . . . 0.0 109.856 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 669' ' ' THR . . . . . 0.481 ' OG1' ' HA ' ' A' ' 655' ' ' ALA . 30.9 p -139.86 121.76 15.55 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.981 -1.074 . . . . 0.0 110.123 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 670' ' ' TYR . . . . . 0.656 ' CE2' ' CD2' ' A' ' 656' ' ' TRP . 66.5 m-85 -91.86 102.43 15.02 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.081 -1.012 . . . . 0.0 110.504 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . 0.458 ' HB3' ' O ' ' A' ' 670' ' ' TYR . 42.1 t30 57.57 -80.76 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.333 -0.855 . . . . 0.0 110.345 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 672' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 670' ' ' TYR . . . -131.62 30.21 3.3 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.308 -1.517 . . . . 0.0 109.308 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 673' ' ' LYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 669' ' ' THR . 11.7 mttt -119.27 143.49 47.3 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.246 -1.149 . . . . 0.0 110.504 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 674' ' ' THR . . . . . 0.437 ' HB ' ' CG ' ' A' ' 699' ' ' GLN . 1.1 m -101.87 122.46 44.03 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.5 -0.75 . . . . 0.0 109.827 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 675' ' ' TYR . . . . . 0.63 ' CE1' ' CB ' ' A' ' 690' ' ' SER . 22.8 m-85 -130.86 151.15 51.59 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.208 -0.933 . . . . 0.0 110.776 -179.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 697' ' ' GLN . 0.0 OUTLIER -132.41 134.3 44.96 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.467 -0.771 . . . . 0.0 109.515 179.495 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . 0.548 ' CB ' ' HB2' ' A' ' 666' ' ' GLN . 0.1 OUTLIER -85.39 148.34 26.06 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.25 -0.907 . . . . 0.0 110.271 -179.627 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.31 -18.92 9.13 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.278 -0.888 . . . . 0.0 110.189 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -131.6 145.83 59.28 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.209 -0.932 . . . . 0.0 110.247 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 680' ' ' PRO . . . . . 0.914 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 2.9 Cg_endo -61.58 94.68 0.12 Allowed 'Trans proline' 0 C--N 1.311 -1.423 0 O-C-N 123.641 1.338 . . . . 0.0 110.412 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 681' ' ' HIS . . . . . . . . . . . . . 18.2 m80 -136.3 164.29 28.43 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.241 -0.912 . . . . 0.0 110.179 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 682' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 660' ' ' THR . 22.6 m -103.79 125.34 50.17 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.311 -0.868 . . . . 0.0 110.364 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 683' ' ' SER . . . . . 0.474 ' OG ' ' NE1' ' A' ' 656' ' ' TRP . 12.0 t -68.93 141.29 55.04 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.33 -0.856 . . . . 0.0 110.002 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . 0.646 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.6 OUTLIER -152.7 179.38 8.67 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.174 -0.954 . . . . 0.0 110.757 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -60.24 84.7 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.416 -0.803 . . . . 0.0 110.039 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 686' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 163.09 -39.92 0.34 Allowed Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 687' ' ' TRP . . . . . 0.428 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 51.5 m0 -88.91 37.87 0.86 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.174 -1.192 . . . . 0.0 110.058 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 688' ' ' GLU . . . . . 0.581 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.4 mt-10 -89.35 -49.0 0.4 Allowed Pre-proline 0 N--CA 1.493 1.71 0 O-C-N 121.322 -0.861 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 689' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.4 Cg_endo -71.81 -2.63 11.75 Favored 'Trans proline' 0 C--N 1.316 -1.177 0 O-C-N 123.231 1.121 . . . . 0.0 110.036 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 690' ' ' SER . . . . . 0.63 ' CB ' ' CE1' ' A' ' 675' ' ' TYR . 4.7 p 58.07 56.89 4.33 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.351 -0.843 . . . . 0.0 109.474 -179.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -89.38 24.05 2.35 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.471 -0.768 . . . . 0.0 110.844 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 692' ' ' VAL . . . . . 0.436 HG23 ' HD1' ' A' ' 696' ' ' TRP . 2.1 m -139.93 88.58 11.85 Favored Pre-proline 0 N--CA 1.492 1.634 0 O-C-N 121.143 -0.973 . . . . 0.0 110.163 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -61.81 -11.16 19.65 Favored 'Trans proline' 0 C--N 1.314 -1.249 0 O-C-N 123.795 1.418 . . . . 0.0 110.75 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -62.84 -33.29 74.93 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.226 -0.921 . . . . 0.0 110.476 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 695' ' ' LEU . . . . . 0.736 ' C ' HD12 ' A' ' 695' ' ' LEU . 3.5 pp -140.21 10.33 2.33 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.028 -1.045 . . . . 0.0 110.925 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 696' ' ' TRP . . . . . 0.545 ' CD1' ' CD1' ' A' ' 695' ' ' LEU . 0.4 OUTLIER -130.39 88.85 2.69 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.935 -1.103 . . . . 0.0 110.936 -179.736 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 697' ' ' GLN . . . . . 0.451 ' O ' ' HG2' ' A' ' 676' ' ' LYS . 2.0 tp-100 -99.83 115.29 29.24 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.199 -0.938 . . . . 0.0 109.385 179.144 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . 0.785 HD12 ' N ' ' A' ' 699' ' ' GLN . 0.9 OUTLIER -89.82 -175.16 4.54 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.075 -1.016 . . . . 0.0 110.91 -179.189 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 699' ' ' GLN . . . . . 0.785 ' N ' HD12 ' A' ' 698' ' ' LEU . 1.9 pt20 . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.555 -0.715 . . . . 0.0 110.07 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . 0.801 ' N ' ' HG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.279 0.561 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 656' ' ' TRP . . . . . 0.796 ' CH2' HG12 ' A' ' 658' ' ' VAL . 57.9 t90 -73.04 138.26 45.83 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.278 -0.889 . . . . 0.0 110.143 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 657' ' ' GLN . . . . . 0.436 ' HG2' ' C ' ' A' ' 656' ' ' TRP . 1.9 mt-30 -127.06 131.32 50.94 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.178 -0.951 . . . . 0.0 110.299 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 658' ' ' VAL . . . . . 0.796 HG12 ' CH2' ' A' ' 656' ' ' TRP . 5.7 m -69.59 166.97 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.232 -0.917 . . . . 0.0 109.952 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 49.22 50.58 17.78 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.132 -0.98 . . . . 0.0 109.75 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 660' ' ' THR . . . . . 0.746 ' O ' HG23 ' A' ' 682' ' ' THR . 55.2 m -133.57 168.44 18.65 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.189 -0.944 . . . . 0.0 110.413 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . 0.536 ' N ' HG22 ' A' ' 660' ' ' THR . . . -117.24 106.32 13.17 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.282 -0.886 . . . . 0.0 110.018 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -101.13 155.72 17.84 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.228 -0.92 . . . . 0.0 110.319 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 663' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 62.5 p -100.8 -173.21 2.33 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.232 -0.918 . . . . 0.0 110.297 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 664' ' ' ALA . . . . . 0.887 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -81.36 124.95 29.81 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.296 -0.878 . . . . 0.0 110.172 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 89.92 27.8 20.33 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . 0.436 ' HB2' ' HB3' ' A' ' 677' ' ' CYS . 1.1 tm0? -87.93 172.2 9.76 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.163 -1.198 . . . . 0.0 110.05 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 667' ' ' LEU . . . . . 0.625 HD11 ' HE3' ' A' ' 676' ' ' LYS . 0.3 OUTLIER -130.65 127.85 39.77 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.095 -1.003 . . . . 0.0 110.445 -179.828 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 668' ' ' VAL . . . . . 0.537 ' CG2' ' HB2' ' A' ' 675' ' ' TYR . 3.0 m -135.25 171.11 18.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.435 -0.791 . . . . 0.0 109.955 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 669' ' ' THR . . . . . 0.801 ' HG1' ' N ' ' A' ' 655' ' ' ALA . 17.4 p -140.62 119.15 12.28 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.197 -0.94 . . . . 0.0 110.157 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 670' ' ' TYR . . . . . 0.667 ' CE2' ' CD2' ' A' ' 656' ' ' TRP . 79.7 m-85 -88.87 80.6 7.1 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.099 -1.001 . . . . 0.0 110.454 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 5.6 m120 45.25 83.43 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.417 -0.802 . . . . 0.0 110.956 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . 82.8 -14.66 35.76 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 110.13 -1.188 . . . . 0.0 110.13 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 673' ' ' LYS . . . . . 0.513 ' O ' ' HA ' ' A' ' 669' ' ' THR . 11.3 mmtt -100.01 155.28 17.79 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.071 -1.252 . . . . 0.0 110.048 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 674' ' ' THR . . . . . 0.617 ' O ' HD12 ' A' ' 698' ' ' LEU . 1.6 m -124.19 130.87 53.28 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.343 -0.848 . . . . 0.0 110.3 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 675' ' ' TYR . . . . . 0.621 ' CZ ' HD13 ' A' ' 698' ' ' LEU . 20.4 m-85 -131.01 167.57 18.83 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.227 -0.921 . . . . 0.0 110.007 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . 0.625 ' HE3' HD11 ' A' ' 667' ' ' LEU . 3.0 mptt -138.63 101.04 4.24 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.177 -0.952 . . . . 0.0 110.604 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . 0.436 ' HB3' ' HB2' ' A' ' 666' ' ' GLN . 0.1 OUTLIER -54.89 146.91 16.33 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.187 -0.946 . . . . 0.0 109.89 179.711 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -127.98 -5.36 5.62 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.234 -0.916 . . . . 0.0 110.521 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 679' ' ' GLN . . . . . 0.421 ' HB2' ' HB2' ' A' ' 695' ' ' LEU . 2.0 tt0 -144.01 143.8 24.11 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.108 -0.995 . . . . 0.0 110.371 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 680' ' ' PRO . . . . . 0.887 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 2.9 Cg_endo -63.68 94.1 0.18 Allowed 'Trans proline' 0 C--N 1.315 -1.237 0 O-C-N 123.558 1.294 . . . . 0.0 110.82 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 681' ' ' HIS . . . . . 0.501 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 4.7 m-70 -138.61 179.76 6.28 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.227 -0.921 . . . . 0.0 109.792 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 682' ' ' THR . . . . . 0.746 HG23 ' O ' ' A' ' 660' ' ' THR . 49.4 m -117.36 131.71 56.73 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.175 -0.953 . . . . 0.0 110.452 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.63 148.77 27.78 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.297 -0.877 . . . . 0.0 109.88 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . 0.603 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.6 OUTLIER -147.91 -176.24 5.2 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.269 -0.894 . . . . 0.0 110.496 -179.881 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -67.3 81.8 0.14 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.294 -0.879 . . . . 0.0 110.13 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 686' ' ' GLY . . . . . 0.431 ' O ' ' HD2' ' A' ' 689' ' ' PRO . . . 162.13 -29.43 0.28 Allowed Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.743 -1.343 . . . . 0.0 109.743 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 28.5 m0 -86.7 32.79 0.65 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.148 -1.207 . . . . 0.0 110.373 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 688' ' ' GLU . . . . . 0.596 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.4 mt-10 -88.92 -47.01 0.43 Allowed Pre-proline 0 N--CA 1.496 1.837 0 O-C-N 121.182 -0.949 . . . . 0.0 111.109 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 689' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.8 Cg_endo -68.76 -3.9 12.2 Favored 'Trans proline' 0 C--N 1.313 -1.309 0 O-C-N 123.186 1.098 . . . . 0.0 110.683 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 690' ' ' SER . . . . . 0.505 ' O ' ' OG ' ' A' ' 690' ' ' SER . 1.3 p 69.34 57.28 0.36 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.414 -0.804 . . . . 0.0 110.171 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 691' ' ' ASN . . . . . 0.442 ' C ' ' HD3' ' A' ' 693' ' ' PRO . 48.7 m-20 -79.42 -14.29 59.03 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.977 -1.077 . . . . 0.0 110.428 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 692' ' ' VAL . . . . . 0.547 HG23 ' CD1' ' A' ' 695' ' ' LEU . 19.7 m -116.27 76.76 7.0 Favored Pre-proline 0 N--CA 1.492 1.657 0 O-C-N 121.302 -0.874 . . . . 0.0 110.07 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 693' ' ' PRO . . . . . 0.442 ' HD3' ' C ' ' A' ' 691' ' ' ASN . 3.1 Cg_exo -58.69 -21.16 54.48 Favored 'Trans proline' 0 C--N 1.309 -1.51 0 O-C-N 123.618 1.325 . . . . 0.0 110.345 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -51.54 -44.3 62.6 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.19 -0.944 . . . . 0.0 110.029 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 695' ' ' LEU . . . . . 1.079 HD13 ' N ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -109.5 -12.39 14.7 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.198 -0.939 . . . . 0.0 109.995 179.854 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 696' ' ' TRP . . . . . 1.079 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.6 OUTLIER -99.33 108.25 20.73 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.093 -1.004 . . . . 0.0 109.824 179.505 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 697' ' ' GLN . . . . . 0.496 ' O ' ' HB2' ' A' ' 676' ' ' LYS . 4.8 tp60 -102.54 84.29 2.41 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.213 -0.929 . . . . 0.0 110.317 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . 0.621 HD13 ' CZ ' ' A' ' 675' ' ' TYR . 16.3 tp -58.0 151.81 17.74 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.214 -0.929 . . . . 0.0 110.097 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 699' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.258 -0.901 . . . . 0.0 110.251 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . 0.544 ' N ' ' HG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 121.186 0.517 . . . . 0.0 110.22 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 656' ' ' TRP . . . . . 0.876 ' CZ3' HG22 ' A' ' 658' ' ' VAL . 84.1 t90 -64.62 117.4 7.36 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.281 -0.887 . . . . 0.0 110.317 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -103.82 123.11 46.5 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.26 -0.9 . . . . 0.0 110.079 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 658' ' ' VAL . . . . . 0.876 HG22 ' CZ3' ' A' ' 656' ' ' TRP . 57.4 t -57.9 146.34 7.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.184 -0.947 . . . . 0.0 110.197 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 7.7 t30 61.16 49.84 5.31 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.199 -0.938 . . . . 0.0 110.117 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 34.9 m -135.23 131.82 37.1 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.357 -0.839 . . . . 0.0 110.228 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -69.13 141.49 54.63 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.146 -0.971 . . . . 0.0 110.244 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -136.73 160.35 39.12 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.378 -0.826 . . . . 0.0 110.004 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 663' ' ' THR . . . . . 0.473 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 1.6 p -110.08 -177.61 3.3 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.174 -0.954 . . . . 0.0 110.076 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 664' ' ' ALA . . . . . 1.068 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -79.43 159.12 27.16 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.183 -0.948 . . . . 0.0 110.229 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 61.03 20.45 57.95 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.617 -1.393 . . . . 0.0 109.617 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . 0.48 ' HA ' ' OE1' ' A' ' 666' ' ' GLN . 0.0 OUTLIER -81.75 177.94 8.6 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.185 -1.185 . . . . 0.0 110.142 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 667' ' ' LEU . . . . . 0.555 HD23 ' C ' ' A' ' 667' ' ' LEU . 4.6 tt -142.76 104.29 4.33 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.105 -0.997 . . . . 0.0 110.333 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 668' ' ' VAL . . . . . . . . . . . . . 3.0 m -110.02 170.84 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.285 -0.885 . . . . 0.0 109.855 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 669' ' ' THR . . . . . 0.544 ' HG1' ' N ' ' A' ' 655' ' ' ALA . 3.2 p -140.09 116.04 10.34 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.046 -1.034 . . . . 0.0 110.276 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 670' ' ' TYR . . . . . 0.687 ' CE2' ' CD2' ' A' ' 656' ' ' TRP . 77.0 m-85 -84.19 -165.34 1.12 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.303 -0.873 . . . . 0.0 110.019 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -47.81 91.51 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.27 -0.893 . . . . 0.0 110.008 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 672' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 670' ' ' TYR . . . 56.95 27.78 57.21 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.269 -1.532 . . . . 0.0 109.269 -179.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 673' ' ' LYS . . . . . 0.518 ' HB2' ' HB2' ' A' ' 670' ' ' TYR . 1.6 mmtm -117.61 147.73 42.58 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.311 -1.111 . . . . 0.0 110.324 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 674' ' ' THR . . . . . . . . . . . . . 14.9 m -106.91 124.7 50.01 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.251 -0.905 . . . . 0.0 109.528 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 675' ' ' TYR . . . . . 0.546 ' HA ' ' HA ' ' A' ' 698' ' ' LEU . 14.3 m-85 -132.83 158.1 43.35 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.131 -0.981 . . . . 0.0 111.157 -179.399 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.42 114.72 11.66 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.478 -0.764 . . . . 0.0 109.948 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . 0.455 ' HB2' ' HB3' ' A' ' 666' ' ' GLN . 0.1 OUTLIER -65.34 136.57 56.71 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.266 -0.896 . . . . 0.0 110.288 -179.765 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.702 HD23 ' HG3' ' A' ' 679' ' ' GLN . 0.6 OUTLIER -109.21 -14.25 14.52 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.223 -0.923 . . . . 0.0 110.153 179.801 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 679' ' ' GLN . . . . . 0.702 ' HG3' HD23 ' A' ' 678' ' ' LEU . 4.2 mt-30 -143.09 143.42 24.75 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.293 -0.879 . . . . 0.0 110.299 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 680' ' ' PRO . . . . . 1.068 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.0 Cg_endo -62.14 107.54 0.57 Allowed 'Trans proline' 0 C--N 1.312 -1.38 0 O-C-N 123.696 1.366 . . . . 0.0 110.724 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 681' ' ' HIS . . . . . 0.51 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 25.7 m-70 -143.99 -161.46 1.28 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.341 -0.85 . . . . 0.0 110.064 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 24.4 m -132.81 124.74 28.58 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.193 -0.942 . . . . 0.0 110.505 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 69.2 p -75.83 143.91 41.59 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.366 -0.834 . . . . 0.0 110.14 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . 0.614 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.8 OUTLIER -146.44 176.44 9.8 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.211 -0.93 . . . . 0.0 110.649 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -63.83 74.15 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.312 -0.867 . . . . 0.0 110.244 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 686' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 173.65 -29.17 0.09 OUTLIER Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 25.8 m0 -85.65 31.54 0.6 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.201 -1.176 . . . . 0.0 110.37 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 688' ' ' GLU . . . . . 0.606 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 2.3 mt-10 -87.64 -47.8 0.47 Allowed Pre-proline 0 N--CA 1.495 1.791 0 O-C-N 121.137 -0.977 . . . . 0.0 110.372 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 689' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.7 Cg_endo -70.91 -3.44 12.78 Favored 'Trans proline' 0 C--N 1.313 -1.291 0 O-C-N 123.316 1.166 . . . . 0.0 110.058 179.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 690' ' ' SER . . . . . 0.468 ' O ' ' OG ' ' A' ' 690' ' ' SER . 3.8 p 62.14 57.13 2.09 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.512 -0.743 . . . . 0.0 110.139 -179.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 691' ' ' ASN . . . . . 0.452 ' C ' ' HD3' ' A' ' 693' ' ' PRO . 6.6 m-20 -79.41 -6.17 56.26 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.262 -0.899 . . . . 0.0 109.671 179.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 692' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 692' ' ' VAL . 27.3 m -122.26 70.81 33.43 Favored Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.37 -0.831 . . . . 0.0 110.177 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 693' ' ' PRO . . . . . 0.452 ' HD3' ' C ' ' A' ' 691' ' ' ASN . 3.1 Cg_exo -59.02 -19.76 50.11 Favored 'Trans proline' 0 C--N 1.31 -1.459 0 O-C-N 123.649 1.341 . . . . 0.0 110.616 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -52.17 -39.66 60.36 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.237 -0.914 . . . . 0.0 110.104 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 695' ' ' LEU . . . . . 1.047 ' O ' HD22 ' A' ' 695' ' ' LEU . 0.0 OUTLIER -115.17 -10.92 12.09 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.326 -0.859 . . . . 0.0 110.268 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 696' ' ' TRP . . . . . 1.027 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.6 OUTLIER -105.13 95.87 6.14 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.188 -0.945 . . . . 0.0 110.105 179.294 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -99.76 102.31 13.72 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.104 -0.998 . . . . 0.0 109.906 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . 0.765 HD12 ' N ' ' A' ' 699' ' ' GLN . 1.0 OUTLIER -97.15 -172.25 2.39 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.191 -0.943 . . . . 0.0 110.745 -179.642 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 699' ' ' GLN . . . . . 0.765 ' N ' HD12 ' A' ' 698' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.445 -0.784 . . . . 0.0 110.131 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . 0.413 ' HA ' ' OG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.171 0.51 . . . . 0.0 110.201 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 656' ' ' TRP . . . . . 0.664 ' CD2' ' CE2' ' A' ' 670' ' ' TYR . 36.3 t90 -50.22 144.47 7.17 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.271 -0.893 . . . . 0.0 110.111 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -118.24 108.9 15.7 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.195 -0.941 . . . . 0.0 110.251 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 658' ' ' VAL . . . . . 0.547 ' HA ' ' CZ2' ' A' ' 656' ' ' TRP . 2.2 p -53.76 147.93 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.142 -0.974 . . . . 0.0 110.061 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 659' ' ' ASN . . . . . 0.423 ' HA ' ' O ' ' A' ' 683' ' ' SER . 4.4 m-20 57.78 56.5 4.76 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.252 -0.905 . . . . 0.0 110.123 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 99.1 m -138.71 144.08 39.39 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.252 -0.905 . . . . 0.0 110.21 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -87.79 122.44 31.45 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.112 -0.993 . . . . 0.0 110.207 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 662' ' ' TYR . . . . . 0.516 ' O ' ' HA ' ' A' ' 680' ' ' PRO . 19.4 m-85 -114.79 157.49 23.17 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.134 -0.979 . . . . 0.0 110.326 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 663' ' ' THR . . . . . 0.428 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 16.3 p -100.7 -167.11 1.39 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.306 -0.871 . . . . 0.0 110.062 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 664' ' ' ALA . . . . . 0.868 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -90.11 108.34 19.67 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.223 -0.923 . . . . 0.0 110.084 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 110.9 30.62 3.16 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . 0.566 ' HB2' ' CB ' ' A' ' 677' ' ' CYS . 4.0 mm-40 -90.4 168.38 11.91 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.316 -1.108 . . . . 0.0 109.826 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -130.73 105.13 7.59 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.136 -0.978 . . . . 0.0 110.541 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 668' ' ' VAL . . . . . . . . . . . . . 2.3 m -113.65 173.04 3.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.351 -0.843 . . . . 0.0 109.67 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 669' ' ' THR . . . . . 0.413 ' OG1' ' HA ' ' A' ' 655' ' ' ALA . 18.3 p -140.53 121.09 14.19 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.026 -1.046 . . . . 0.0 110.777 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 670' ' ' TYR . . . . . 0.664 ' CE2' ' CD2' ' A' ' 656' ' ' TRP . 56.9 m-85 -96.18 -159.52 0.73 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.322 -0.861 . . . . 0.0 109.663 179.46 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 670' ' ' TYR . 1.7 t-20 -43.72 94.17 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.09 -1.006 . . . . 0.0 110.159 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 672' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 670' ' ' TYR . . . 48.99 27.42 6.65 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.581 -1.407 . . . . 0.0 109.581 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 673' ' ' LYS . . . . . 0.473 ' HB2' ' HB2' ' A' ' 670' ' ' TYR . 1.6 mttm -118.34 158.52 25.08 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.216 -1.167 . . . . 0.0 110.556 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 674' ' ' THR . . . . . 0.584 ' O ' HD12 ' A' ' 698' ' ' LEU . 22.9 m -126.24 117.89 24.01 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.403 -0.81 . . . . 0.0 109.642 179.467 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 675' ' ' TYR . . . . . 0.857 ' CZ ' HD13 ' A' ' 698' ' ' LEU . 39.9 m-85 -115.38 157.27 24.13 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.145 -0.972 . . . . 0.0 110.461 -179.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 697' ' ' GLN . 0.7 OUTLIER -124.54 92.7 3.71 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.305 -0.872 . . . . 0.0 109.909 179.797 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . 0.566 ' CB ' ' HB2' ' A' ' 666' ' ' GLN . 0.0 OUTLIER -47.99 143.46 4.26 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.145 -0.972 . . . . 0.0 109.87 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.491 HD12 ' NE2' ' A' ' 697' ' ' GLN . 6.9 tt -127.91 -4.95 5.69 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.298 -0.876 . . . . 0.0 110.61 -179.326 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 679' ' ' GLN . . . . . 0.451 ' HB2' ' HB2' ' A' ' 695' ' ' LEU . 0.7 OUTLIER -140.55 140.05 21.7 Favored Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.055 -1.028 . . . . 0.0 110.34 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 680' ' ' PRO . . . . . 0.868 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 2.9 Cg_endo -63.38 94.22 0.17 Allowed 'Trans proline' 0 C--N 1.313 -1.341 0 O-C-N 123.513 1.27 . . . . 0.0 110.355 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 681' ' ' HIS . . . . . 0.442 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 0.4 OUTLIER -135.72 -174.01 3.53 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.163 -0.961 . . . . 0.0 110.29 -179.802 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 682' ' ' THR . . . . . 0.471 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 53.4 m -120.77 124.66 45.65 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.241 -0.912 . . . . 0.0 110.248 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 683' ' ' SER . . . . . 0.423 ' O ' ' HA ' ' A' ' 659' ' ' ASN . 1.1 t -84.84 147.82 26.61 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.294 -0.879 . . . . 0.0 109.952 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . 0.531 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.7 OUTLIER -152.65 -177.01 5.97 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.212 -0.93 . . . . 0.0 110.122 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -63.39 76.09 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.263 -0.898 . . . . 0.0 110.218 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 686' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 173.5 -35.62 0.12 Allowed Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 687' ' ' TRP . . . . . 0.471 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 44.5 m0 -89.82 40.24 0.99 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.295 -1.121 . . . . 0.0 109.785 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 688' ' ' GLU . . . . . 0.589 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.0 OUTLIER -88.93 -48.06 0.42 Allowed Pre-proline 0 N--CA 1.494 1.759 0 O-C-N 121.414 -0.804 . . . . 0.0 110.495 -179.689 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 689' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.7 Cg_endo -71.41 0.12 7.31 Favored 'Trans proline' 0 C--N 1.315 -1.216 0 O-C-N 123.211 1.111 . . . . 0.0 110.552 179.625 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 690' ' ' SER . . . . . 0.514 ' CB ' ' CE2' ' A' ' 675' ' ' TYR . 1.3 t 59.63 61.7 1.9 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.328 -0.857 . . . . 0.0 109.625 -179.391 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 691' ' ' ASN . . . . . 0.457 ' OD1' ' HB2' ' A' ' 689' ' ' PRO . 7.3 m-20 -85.36 5.14 32.06 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.223 -0.923 . . . . 0.0 110.441 -179.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 692' ' ' VAL . . . . . 0.464 HG23 ' CD1' ' A' ' 695' ' ' LEU . 12.3 m -129.51 85.42 58.85 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.046 -1.034 . . . . 0.0 110.608 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -61.21 -12.75 24.73 Favored 'Trans proline' 0 C--N 1.31 -1.457 0 O-C-N 123.692 1.364 . . . . 0.0 110.472 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -60.5 -36.43 78.32 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.331 -0.856 . . . . 0.0 110.373 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 695' ' ' LEU . . . . . 1.059 HD13 ' N ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -121.8 -11.83 8.53 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.186 -0.946 . . . . 0.0 110.298 -179.818 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 696' ' ' TRP . . . . . 1.059 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.9 OUTLIER -101.22 109.23 21.06 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.163 -0.96 . . . . 0.0 110.117 179.495 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 697' ' ' GLN . . . . . 0.491 ' NE2' HD12 ' A' ' 678' ' ' LEU . 0.4 OUTLIER -102.02 73.4 1.38 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.112 -0.992 . . . . 0.0 109.977 179.737 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . 0.857 HD13 ' CZ ' ' A' ' 675' ' ' TYR . 43.7 tp -53.98 161.1 1.3 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.291 -0.881 . . . . 0.0 110.329 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 699' ' ' GLN . . . . . 0.525 ' N ' ' HG ' ' A' ' 698' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.599 0 O-C-N 121.305 -0.872 . . . . 0.0 110.275 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . 0.78 ' N ' ' HG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.206 0.527 . . . . 0.0 110.192 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 656' ' ' TRP . . . . . 0.493 ' CD2' ' CE1' ' A' ' 670' ' ' TYR . 86.2 t90 -51.24 141.65 14.36 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.25 -0.906 . . . . 0.0 110.094 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -122.76 123.23 40.59 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.268 -0.895 . . . . 0.0 110.243 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 658' ' ' VAL . . . . . 0.423 ' HB ' ' CZ3' ' A' ' 656' ' ' TRP . 7.7 p -68.23 156.32 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.346 -0.846 . . . . 0.0 110.242 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 58.68 49.57 10.04 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.24 -0.913 . . . . 0.0 110.015 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 27.9 m -139.68 132.73 29.54 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.274 -0.891 . . . . 0.0 110.364 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -78.34 119.37 21.59 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.267 -0.896 . . . . 0.0 110.149 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 662' ' ' TYR . . . . . 0.425 ' O ' ' HA ' ' A' ' 680' ' ' PRO . 14.7 m-85 -107.36 146.34 31.72 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.29 -0.881 . . . . 0.0 110.146 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 1.4 p -100.9 163.52 12.26 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.204 -0.935 . . . . 0.0 110.262 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 664' ' ' ALA . . . . . 0.98 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -58.93 119.73 7.76 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.309 -0.87 . . . . 0.0 110.412 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 100.58 29.33 6.66 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . 0.52 ' HB2' ' HB3' ' A' ' 677' ' ' CYS . 1.3 tm0? -90.23 -178.12 5.31 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.151 -1.205 . . . . 0.0 110.335 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.79 116.78 9.92 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.343 -0.848 . . . . 0.0 110.401 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 668' ' ' VAL . . . . . 0.502 ' CG2' ' HB2' ' A' ' 675' ' ' TYR . 2.4 m -129.8 156.27 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.117 -0.989 . . . . 0.0 109.903 179.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 669' ' ' THR . . . . . 0.78 ' HG1' ' N ' ' A' ' 655' ' ' ALA . 23.4 p -140.86 121.88 14.61 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.064 -1.023 . . . . 0.0 110.088 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 670' ' ' TYR . . . . . 0.612 ' CZ ' ' HA ' ' A' ' 688' ' ' GLU . 60.6 m-85 -80.66 -175.01 5.03 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.933 -1.105 . . . . 0.0 110.355 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . 0.486 ' C ' ' O ' ' A' ' 670' ' ' TYR . 4.2 m120 -31.07 -40.98 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.938 0 CA-C-O 121.195 0.521 . . . . 0.0 111.457 -179.339 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 672' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 670' ' ' TYR . . . -159.88 45.37 0.43 Allowed Glycine 0 N--CA 1.488 2.145 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 673' ' ' LYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 669' ' ' THR . 40.1 mmtt -139.95 148.43 41.95 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.189 -1.183 . . . . 0.0 110.827 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 674' ' ' THR . . . . . 0.507 ' HB ' ' HG3' ' A' ' 699' ' ' GLN . 1.7 m -104.66 124.72 49.84 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.542 -0.724 . . . . 0.0 109.835 179.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 675' ' ' TYR . . . . . 0.638 ' CE1' ' HB3' ' A' ' 698' ' ' LEU . 36.1 m-85 -131.81 159.7 37.77 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.25 -0.906 . . . . 0.0 110.64 -179.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . 0.476 ' HG2' ' HB3' ' A' ' 697' ' ' GLN . 0.0 OUTLIER -140.15 129.85 24.42 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.351 -0.843 . . . . 0.0 109.528 179.291 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . 0.52 ' HB3' ' HB2' ' A' ' 666' ' ' GLN . 0.5 OUTLIER -75.93 138.16 40.82 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.311 -0.868 . . . . 0.0 110.25 -179.692 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.502 HD12 ' HB2' ' A' ' 697' ' ' GLN . 0.1 OUTLIER -116.25 -7.82 11.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.299 -0.875 . . . . 0.0 110.564 -179.775 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 679' ' ' GLN . . . . . 0.528 ' HB3' ' CE1' ' A' ' 681' ' ' HIS . 0.2 OUTLIER -146.78 141.16 15.8 Favored Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.1 -1.0 . . . . 0.0 110.439 -179.892 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 680' ' ' PRO . . . . . 0.98 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.1 Cg_exo -61.76 95.46 0.13 Allowed 'Trans proline' 0 C--N 1.314 -1.252 0 O-C-N 123.496 1.261 . . . . 0.0 110.664 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 681' ' ' HIS . . . . . 0.528 ' CE1' ' HB3' ' A' ' 679' ' ' GLN . 20.1 m80 -131.09 -166.16 1.66 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.267 -0.895 . . . . 0.0 110.167 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 682' ' ' THR . . . . . 0.58 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 53.8 m -123.73 122.83 39.1 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.237 -0.914 . . . . 0.0 110.547 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 48.2 p -86.85 137.79 32.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.276 -0.89 . . . . 0.0 109.925 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . 0.584 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.6 OUTLIER -146.94 -177.53 5.71 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.218 -0.926 . . . . 0.0 110.611 -179.862 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -62.56 74.06 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.335 -0.853 . . . . 0.0 110.071 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 686' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 176.38 -37.81 0.1 OUTLIER Glycine 0 N--CA 1.489 2.171 0 N-CA-C 109.418 -1.473 . . . . 0.0 109.418 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 687' ' ' TRP . . . . . 0.58 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 40.0 m0 -89.07 38.91 0.91 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.149 -1.207 . . . . 0.0 110.253 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 688' ' ' GLU . . . . . 0.612 ' HA ' ' CZ ' ' A' ' 670' ' ' TYR . 1.7 mt-10 -88.11 -48.53 0.44 Allowed Pre-proline 0 N--CA 1.494 1.766 0 O-C-N 121.268 -0.895 . . . . 0.0 110.41 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 689' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.5 Cg_endo -71.1 -2.51 11.23 Favored 'Trans proline' 0 C--N 1.314 -1.238 0 O-C-N 123.346 1.182 . . . . 0.0 110.346 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 690' ' ' SER . . . . . 0.528 ' CB ' ' CE1' ' A' ' 675' ' ' TYR . 1.7 p 64.37 62.87 0.79 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.308 -0.87 . . . . 0.0 109.861 -179.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -85.17 6.94 23.67 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.141 -0.974 . . . . 0.0 110.811 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 692' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 692' ' ' VAL . 25.7 m -137.46 84.41 23.41 Favored Pre-proline 0 N--CA 1.493 1.688 0 O-C-N 120.984 -1.072 . . . . 0.0 110.552 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -60.51 -15.58 37.07 Favored 'Trans proline' 0 C--N 1.312 -1.38 0 O-C-N 123.68 1.358 . . . . 0.0 110.545 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -49.58 -37.81 28.9 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.187 -0.946 . . . . 0.0 109.958 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 695' ' ' LEU . . . . . 0.809 HD12 ' N ' ' A' ' 696' ' ' TRP . 1.1 pp -129.92 -1.34 4.71 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.241 -0.912 . . . . 0.0 110.015 179.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 696' ' ' TRP . . . . . 0.809 ' N ' HD12 ' A' ' 695' ' ' LEU . 0.7 OUTLIER -111.36 92.39 4.02 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.232 -0.917 . . . . 0.0 109.786 179.574 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 697' ' ' GLN . . . . . 0.502 ' HB2' HD12 ' A' ' 678' ' ' LEU . 16.4 tt0 -99.22 108.23 20.75 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.189 -0.944 . . . . 0.0 109.784 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . 0.985 HD12 ' N ' ' A' ' 699' ' ' GLN . 0.9 OUTLIER -96.39 -174.27 3.01 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.356 -0.84 . . . . 0.0 110.762 -179.409 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 699' ' ' GLN . . . . . 0.985 ' N ' HD12 ' A' ' 698' ' ' LEU . 2.7 pt20 . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.49 -0.756 . . . . 0.0 110.161 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . 0.598 ' N ' ' HG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.493 1.72 0 CA-C-O 121.215 0.531 . . . . 0.0 110.257 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 656' ' ' TRP . . . . . 0.579 ' CD2' ' CE1' ' A' ' 670' ' ' TYR . 66.9 t90 -63.72 157.41 24.27 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.087 -1.008 . . . . 0.0 110.332 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -135.8 139.65 43.64 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.273 -0.892 . . . . 0.0 110.12 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 658' ' ' VAL . . . . . 0.47 HG12 ' H ' ' A' ' 658' ' ' VAL . 3.6 p -79.2 148.97 5.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.275 -0.89 . . . . 0.0 110.432 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 39.5 t30 60.07 43.04 14.86 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.38 -0.825 . . . . 0.0 109.767 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 92.6 m -125.42 149.28 48.34 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.426 -0.797 . . . . 0.0 110.102 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -101.37 113.67 26.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.255 -0.903 . . . . 0.0 110.206 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -101.89 157.61 16.73 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.351 -0.843 . . . . 0.0 110.018 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 1.5 p -99.52 178.88 4.73 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.269 -0.895 . . . . 0.0 110.07 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 664' ' ' ALA . . . . . 0.992 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -73.57 124.09 25.23 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.202 -0.936 . . . . 0.0 110.127 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 92.15 27.78 15.09 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.389 -1.485 . . . . 0.0 109.389 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . 0.424 ' O ' ' HA ' ' A' ' 676' ' ' LYS . 1.0 OUTLIER -88.13 177.55 6.87 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.233 -1.157 . . . . 0.0 110.217 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 667' ' ' LEU . . . . . 0.822 HD23 ' N ' ' A' ' 668' ' ' VAL . 2.2 tt -136.56 128.64 29.6 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.229 -0.92 . . . . 0.0 110.454 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 668' ' ' VAL . . . . . 0.822 ' N ' HD23 ' A' ' 667' ' ' LEU . 2.9 m -133.39 164.87 33.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.391 -0.818 . . . . 0.0 109.772 179.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 669' ' ' THR . . . . . 0.614 HG22 HG23 ' A' ' 674' ' ' THR . 69.4 p -139.61 125.23 19.35 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.993 -1.067 . . . . 0.0 110.545 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 670' ' ' TYR . . . . . 0.579 ' CE1' ' CD2' ' A' ' 656' ' ' TRP . 61.8 m-85 -101.67 103.15 13.92 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.319 -0.863 . . . . 0.0 109.849 179.56 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . 0.462 ' HB2' ' O ' ' A' ' 670' ' ' TYR . 59.9 m-20 56.85 -85.76 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.301 -0.874 . . . . 0.0 110.171 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 672' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 670' ' ' TYR . . . -126.39 33.86 3.35 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 673' ' ' LYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 669' ' ' THR . 17.8 mmtm -129.97 164.37 24.39 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.225 -1.162 . . . . 0.0 110.083 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 674' ' ' THR . . . . . 0.614 HG23 HG22 ' A' ' 669' ' ' THR . 2.6 m -140.09 126.55 20.21 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.132 -0.98 . . . . 0.0 110.605 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 675' ' ' TYR . . . . . 0.952 ' CE2' HD13 ' A' ' 698' ' ' LEU . 87.9 m-85 -122.22 166.55 14.44 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.363 -0.836 . . . . 0.0 110.127 179.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . 0.492 ' HB2' ' O ' ' A' ' 697' ' ' GLN . 0.7 OUTLIER -129.55 101.18 5.82 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.146 -0.971 . . . . 0.0 110.58 -179.741 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 665' ' ' GLY . 0.0 OUTLIER -50.15 141.19 11.61 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.315 -0.865 . . . . 0.0 110.059 179.81 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.434 ' O ' HD23 ' A' ' 678' ' ' LEU . 3.3 tt -118.7 -15.74 9.45 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.386 -0.821 . . . . 0.0 110.296 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 679' ' ' GLN . . . . . 0.402 ' HA ' ' HD3' ' A' ' 680' ' ' PRO . 6.3 mt-30 -136.12 140.46 33.08 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.145 -0.972 . . . . 0.0 110.194 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 680' ' ' PRO . . . . . 0.992 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 2.9 Cg_endo -62.5 98.62 0.19 Allowed 'Trans proline' 0 C--N 1.312 -1.348 0 O-C-N 123.522 1.275 . . . . 0.0 110.475 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 681' ' ' HIS . . . . . 0.515 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 4.9 m-70 -137.74 -166.03 1.88 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.239 -0.913 . . . . 0.0 110.072 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 8.2 m -128.03 123.79 35.55 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.247 -0.908 . . . . 0.0 109.847 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 683' ' ' SER . . . . . 0.456 ' C ' HD13 ' A' ' 684' ' ' LEU . 0.3 OUTLIER -87.82 137.94 31.89 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.282 -0.886 . . . . 0.0 109.98 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . 0.887 HD13 ' N ' ' A' ' 684' ' ' LEU . 0.0 OUTLIER -141.45 -166.38 2.18 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.302 -0.874 . . . . 0.0 110.592 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -61.65 82.53 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.202 -0.936 . . . . 0.0 110.12 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 686' ' ' GLY . . . . . 0.523 ' O ' ' HD2' ' A' ' 689' ' ' PRO . . . 158.44 -36.32 0.52 Allowed Glycine 0 N--CA 1.489 2.187 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 687' ' ' TRP . . . . . 0.47 ' CZ3' ' HB3' ' A' ' 681' ' ' HIS . 1.8 m0 -84.85 26.96 0.78 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.155 -1.203 . . . . 0.0 110.667 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 688' ' ' GLU . . . . . 0.608 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 5.6 mt-10 -90.88 -45.1 0.38 Allowed Pre-proline 0 N--CA 1.498 1.949 0 O-C-N 121.046 -1.034 . . . . 0.0 111.869 -179.266 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 689' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.6 Cg_endo -68.15 -3.23 10.34 Favored 'Trans proline' 0 C--N 1.315 -1.209 0 O-C-N 122.985 0.992 . . . . 0.0 110.939 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 690' ' ' SER . . . . . 0.449 ' O ' ' OG ' ' A' ' 690' ' ' SER . 1.3 p 65.64 47.37 2.19 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.127 -0.983 . . . . 0.0 109.635 -179.428 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 691' ' ' ASN . . . . . 0.61 ' OD1' HG13 ' A' ' 692' ' ' VAL . 11.1 p30 -83.2 16.25 2.52 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.242 -0.911 . . . . 0.0 110.57 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 692' ' ' VAL . . . . . 0.61 HG13 ' OD1' ' A' ' 691' ' ' ASN . 14.4 m -138.76 76.13 35.46 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.081 -1.012 . . . . 0.0 110.089 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -59.65 -15.92 33.96 Favored 'Trans proline' 0 C--N 1.311 -1.406 0 O-C-N 123.696 1.366 . . . . 0.0 110.505 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -60.69 -42.61 97.48 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.309 -0.869 . . . . 0.0 109.955 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 695' ' ' LEU . . . . . 1.086 HD13 ' N ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -108.69 -13.99 14.7 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.185 -0.947 . . . . 0.0 109.874 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 696' ' ' TRP . . . . . 1.086 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.2 OUTLIER -99.49 127.03 45.53 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.323 -0.861 . . . . 0.0 110.187 179.915 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 697' ' ' GLN . . . . . 0.492 ' O ' ' HB2' ' A' ' 676' ' ' LYS . 6.1 tp-100 -108.77 72.01 0.8 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.254 -0.904 . . . . 0.0 109.602 179.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . 0.952 HD13 ' CE2' ' A' ' 675' ' ' TYR . 22.4 tp -54.27 156.82 2.98 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.283 -0.886 . . . . 0.0 110.819 -179.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 699' ' ' GLN . . . . . 0.51 ' NE2' ' HB ' ' A' ' 674' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.415 -0.803 . . . . 0.0 110.196 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.265 0.555 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 656' ' ' TRP . . . . . 0.548 ' CH2' ' HB ' ' A' ' 658' ' ' VAL . 78.4 t90 -58.66 163.28 3.36 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.235 -0.915 . . . . 0.0 110.369 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 657' ' ' GLN . . . . . 0.418 ' N ' ' CG ' ' A' ' 656' ' ' TRP . 37.5 mt-30 -143.94 134.44 24.76 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.325 -0.86 . . . . 0.0 109.896 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 658' ' ' VAL . . . . . 0.548 ' HB ' ' CH2' ' A' ' 656' ' ' TRP . 3.4 p -77.71 148.2 6.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.261 -0.899 . . . . 0.0 110.763 -179.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 659' ' ' ASN . . . . . 0.437 ' CB ' ' O ' ' A' ' 658' ' ' VAL . 4.1 t-20 65.71 51.86 1.38 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.438 -0.789 . . . . 0.0 110.374 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 660' ' ' THR . . . . . 0.561 HG22 ' N ' ' A' ' 661' ' ' ALA . 31.0 m -137.73 169.66 17.4 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.308 -0.87 . . . . 0.0 110.1 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . 0.561 ' N ' HG22 ' A' ' 660' ' ' THR . . . -115.16 117.7 31.26 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.297 -0.877 . . . . 0.0 110.478 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -109.93 156.32 20.59 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.163 -0.961 . . . . 0.0 110.179 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.52 170.93 7.65 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.271 -0.893 . . . . 0.0 110.025 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 664' ' ' ALA . . . . . 1.035 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -68.73 103.99 1.89 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.239 -0.913 . . . . 0.0 110.107 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 119.56 28.44 1.93 Allowed Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . 0.456 ' O ' ' HA ' ' A' ' 676' ' ' LYS . 0.0 OUTLIER -88.98 170.41 10.69 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.224 -1.162 . . . . 0.0 109.988 179.855 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.22 92.82 2.83 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.165 -0.959 . . . . 0.0 110.398 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 668' ' ' VAL . . . . . 0.433 HG12 ' NE2' ' A' ' 666' ' ' GLN . 2.1 m -100.59 172.75 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.347 -0.846 . . . . 0.0 110.055 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.96 115.97 9.81 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.204 -0.935 . . . . 0.0 109.959 179.249 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 670' ' ' TYR . . . . . 0.588 ' CE2' ' HA ' ' A' ' 688' ' ' GLU . 44.8 m-85 -87.99 -162.48 0.83 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.201 -0.937 . . . . 0.0 109.997 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . 0.487 ' O ' ' CG ' ' A' ' 673' ' ' LYS . 3.6 m120 -43.93 96.76 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.084 -1.01 . . . . 0.0 110.245 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 672' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 670' ' ' TYR . . . 46.8 29.35 4.26 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 673' ' ' LYS . . . . . 0.495 ' HB2' ' HB2' ' A' ' 670' ' ' TYR . 18.0 mmtt -119.78 152.5 37.14 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.297 -1.119 . . . . 0.0 110.348 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 674' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.31 126.56 53.5 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.403 -0.811 . . . . 0.0 109.703 179.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 675' ' ' TYR . . . . . 0.641 ' CD2' ' HB3' ' A' ' 698' ' ' LEU . 17.6 m-85 -133.27 157.67 44.86 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.223 -0.923 . . . . 0.0 110.676 -179.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . 0.477 ' HE2' HD12 ' A' ' 678' ' ' LEU . 0.1 OUTLIER -140.56 120.44 13.54 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.329 -0.857 . . . . 0.0 109.904 179.816 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . 0.416 ' HB3' ' HB2' ' A' ' 666' ' ' GLN . 0.5 OUTLIER -67.64 142.79 56.29 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.152 -0.968 . . . . 0.0 110.287 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.477 HD12 ' HE2' ' A' ' 676' ' ' LYS . 1.5 tt -120.42 -6.21 9.81 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.242 -0.911 . . . . 0.0 110.114 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 679' ' ' GLN . . . . . 0.511 ' HB3' ' NE2' ' A' ' 681' ' ' HIS . 30.5 mt-30 -140.5 139.45 20.45 Favored Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.261 -0.9 . . . . 0.0 110.098 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 680' ' ' PRO . . . . . 1.035 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.0 Cg_exo -62.99 96.07 0.17 Allowed 'Trans proline' 0 C--N 1.314 -1.256 0 O-C-N 123.486 1.256 . . . . 0.0 110.326 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 681' ' ' HIS . . . . . 0.514 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 17.0 m-70 -138.78 -164.59 1.67 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.211 -0.93 . . . . 0.0 110.308 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 8.2 m -127.84 122.71 33.3 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.307 -0.871 . . . . 0.0 110.089 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.06 142.92 43.68 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.214 -0.929 . . . . 0.0 110.229 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . 0.618 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.8 OUTLIER -146.52 178.41 8.31 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.29 -0.881 . . . . 0.0 110.618 -179.906 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -64.51 70.67 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.332 -0.855 . . . . 0.0 110.171 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 686' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . -179.22 -32.93 0.06 OUTLIER Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 32.0 m0 -88.86 38.64 0.89 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.237 -1.155 . . . . 0.0 110.213 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 688' ' ' GLU . . . . . 0.588 ' HA ' ' CE2' ' A' ' 670' ' ' TYR . 1.6 mt-10 -90.01 -48.29 0.38 Allowed Pre-proline 0 N--CA 1.497 1.877 0 O-C-N 121.269 -0.894 . . . . 0.0 110.88 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 689' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.8 Cg_endo -69.1 -5.3 15.46 Favored 'Trans proline' 0 C--N 1.314 -1.253 0 O-C-N 123.281 1.148 . . . . 0.0 110.237 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 690' ' ' SER . . . . . 0.45 ' O ' ' OG ' ' A' ' 690' ' ' SER . 1.7 p 62.67 52.8 2.72 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.441 -0.787 . . . . 0.0 110.134 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 691' ' ' ASN . . . . . 0.737 ' OD1' HG13 ' A' ' 692' ' ' VAL . 26.3 p30 -82.29 16.29 2.09 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.191 -0.943 . . . . 0.0 110.482 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 692' ' ' VAL . . . . . 0.737 HG13 ' OD1' ' A' ' 691' ' ' ASN . 3.4 m -137.22 75.81 45.78 Favored Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.173 -0.954 . . . . 0.0 109.688 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -59.98 -14.01 25.92 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 O-C-N 123.725 1.382 . . . . 0.0 110.772 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 694' ' ' ALA . . . . . 0.433 ' O ' ' OE1' ' A' ' 679' ' ' GLN . . . -67.37 -39.13 85.66 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.247 -0.908 . . . . 0.0 110.408 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 695' ' ' LEU . . . . . 1.108 HD13 ' N ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -114.99 -14.04 11.87 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.171 -0.956 . . . . 0.0 110.378 -179.835 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 696' ' ' TRP . . . . . 1.108 ' N ' HD13 ' A' ' 695' ' ' LEU . 1.6 m95 -111.46 93.84 4.67 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.074 -1.016 . . . . 0.0 110.148 179.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 697' ' ' GLN . . . . . 0.453 ' O ' ' HB3' ' A' ' 676' ' ' LYS . 22.4 tt0 -99.65 111.66 23.98 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.181 -0.95 . . . . 0.0 109.611 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . 0.641 ' HB3' ' CD2' ' A' ' 675' ' ' TYR . 0.5 OUTLIER -99.84 -167.74 1.5 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.194 -0.941 . . . . 0.0 110.88 -179.211 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 699' ' ' GLN . . . . . 0.541 ' N ' HD12 ' A' ' 698' ' ' LEU . 12.4 pt20 . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.35 -0.844 . . . . 0.0 110.258 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.272 0.558 . . . . 0.0 110.164 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 656' ' ' TRP . . . . . 0.637 ' CD2' ' CE2' ' A' ' 670' ' ' TYR . 89.2 t90 -73.72 170.1 15.96 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.219 -0.926 . . . . 0.0 110.579 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 657' ' ' GLN . . . . . 0.487 ' CG ' ' O ' ' A' ' 656' ' ' TRP . 32.3 mt-30 -156.7 146.7 21.05 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.409 -0.807 . . . . 0.0 109.858 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 658' ' ' VAL . . . . . 0.478 ' O ' ' HB3' ' A' ' 659' ' ' ASN . 4.9 p -86.75 149.01 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.203 -0.936 . . . . 0.0 110.439 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 659' ' ' ASN . . . . . 0.478 ' HB3' ' O ' ' A' ' 658' ' ' VAL . 28.9 t30 64.49 50.57 2.18 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.465 -0.772 . . . . 0.0 110.241 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 660' ' ' THR . . . . . 0.465 ' O ' HG23 ' A' ' 682' ' ' THR . 6.3 m -134.79 172.27 13.2 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.248 -0.908 . . . . 0.0 110.148 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . 0.411 ' H ' HG22 ' A' ' 660' ' ' THR . . . -113.57 109.49 18.71 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.229 -0.919 . . . . 0.0 110.06 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -102.53 155.13 18.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.186 -0.946 . . . . 0.0 110.41 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 663' ' ' THR . . . . . 0.445 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 13.9 p -103.07 -166.98 1.33 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.27 -0.894 . . . . 0.0 109.933 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 664' ' ' ALA . . . . . 0.938 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -86.87 148.9 25.17 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.156 -0.965 . . . . 0.0 110.139 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 63.96 29.45 74.88 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.621 -1.391 . . . . 0.0 109.621 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . 0.456 ' HB2' ' HB3' ' A' ' 677' ' ' CYS . 0.0 OUTLIER -86.91 171.86 10.49 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.218 -1.166 . . . . 0.0 110.099 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.63 125.91 39.12 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.219 -0.926 . . . . 0.0 110.303 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 668' ' ' VAL . . . . . 0.568 ' CG2' ' HB2' ' A' ' 675' ' ' TYR . 3.0 m -135.69 160.91 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.345 -0.847 . . . . 0.0 110.0 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 669' ' ' THR . . . . . 0.492 ' HA ' ' O ' ' A' ' 673' ' ' LYS . 34.8 p -140.39 122.5 15.73 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.246 -0.909 . . . . 0.0 110.113 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 670' ' ' TYR . . . . . 0.637 ' CE2' ' CD2' ' A' ' 656' ' ' TRP . 71.7 m-85 -90.06 89.21 7.59 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.193 -0.942 . . . . 0.0 110.193 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . 0.453 ' HB2' ' O ' ' A' ' 670' ' ' TYR . 6.1 m120 64.31 -69.74 0.08 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.383 -0.823 . . . . 0.0 110.465 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 672' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 670' ' ' TYR . . . -138.1 22.3 3.1 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.722 -1.351 . . . . 0.0 109.722 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 673' ' ' LYS . . . . . 0.492 ' O ' ' HA ' ' A' ' 669' ' ' THR . 7.4 mmtp -115.25 146.29 41.61 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.105 -1.232 . . . . 0.0 110.337 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 674' ' ' THR . . . . . 0.427 ' HB ' ' HG3' ' A' ' 699' ' ' GLN . 1.9 m -103.24 127.56 50.51 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.366 -0.833 . . . . 0.0 109.993 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 675' ' ' TYR . . . . . 0.571 ' CE1' ' CB ' ' A' ' 698' ' ' LEU . 28.4 m-85 -133.53 155.2 50.02 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.174 -0.954 . . . . 0.0 110.603 -179.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.87 113.81 10.5 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.367 -0.833 . . . . 0.0 110.099 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 665' ' ' GLY . 4.8 t -69.05 141.96 54.66 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.289 -0.882 . . . . 0.0 110.1 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.487 HD13 ' HB2' ' A' ' 697' ' ' GLN . 2.1 mp -113.78 -20.0 11.3 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.242 -0.911 . . . . 0.0 110.256 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 679' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 678' ' ' LEU . 91.2 mm-40 -136.06 145.99 54.7 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.342 -0.849 . . . . 0.0 110.275 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 680' ' ' PRO . . . . . 0.938 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 2.9 Cg_endo -62.12 106.3 0.46 Allowed 'Trans proline' 0 C--N 1.311 -1.402 0 O-C-N 123.639 1.337 . . . . 0.0 110.496 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 681' ' ' HIS . . . . . 0.509 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 22.2 m-70 -142.49 174.31 10.74 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.185 -0.947 . . . . 0.0 110.215 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 682' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 660' ' ' THR . 94.9 m -111.36 121.7 45.92 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.223 -0.923 . . . . 0.0 110.419 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.57 148.58 36.95 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.226 -0.921 . . . . 0.0 109.896 179.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . 0.673 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.9 OUTLIER -149.91 -179.39 7.1 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.081 -1.012 . . . . 0.0 110.605 -179.822 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -63.95 78.03 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.315 -0.866 . . . . 0.0 110.08 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 686' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 169.39 -35.17 0.18 Allowed Glycine 0 N--CA 1.49 2.233 0 N-CA-C 109.376 -1.49 . . . . 0.0 109.376 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 30.7 m0 -87.22 33.34 0.68 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.234 -1.157 . . . . 0.0 110.105 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 688' ' ' GLU . . . . . 0.597 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.8 mt-10 -87.35 -48.65 0.47 Allowed Pre-proline 0 N--CA 1.495 1.795 0 O-C-N 121.304 -0.873 . . . . 0.0 110.038 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 689' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.6 Cg_endo -70.71 -3.98 13.73 Favored 'Trans proline' 0 C--N 1.314 -1.266 0 O-C-N 123.389 1.205 . . . . 0.0 110.075 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 690' ' ' SER . . . . . 0.5 ' O ' ' OG ' ' A' ' 690' ' ' SER . 1.7 p 67.06 67.57 0.41 Allowed 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 121.733 0.778 . . . . 0.0 109.967 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -90.14 -1.1 57.9 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.165 -0.959 . . . . 0.0 110.92 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 692' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 692' ' ' VAL . 25.4 m -126.03 83.68 62.74 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.003 -1.061 . . . . 0.0 110.61 -179.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -60.98 -12.35 22.19 Favored 'Trans proline' 0 C--N 1.31 -1.46 0 O-C-N 123.54 1.284 . . . . 0.0 110.487 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -58.38 -37.69 75.77 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.338 -0.851 . . . . 0.0 110.386 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 695' ' ' LEU . . . . . 1.086 HD13 ' N ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -123.45 -12.66 7.72 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.169 -0.957 . . . . 0.0 110.362 -179.747 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 696' ' ' TRP . . . . . 1.086 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.6 OUTLIER -100.36 103.67 15.07 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.101 -0.999 . . . . 0.0 110.2 179.752 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 697' ' ' GLN . . . . . 0.487 ' HB2' HD13 ' A' ' 678' ' ' LEU . 14.2 tp60 -100.29 91.96 4.97 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.279 -0.888 . . . . 0.0 110.037 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . 0.922 HD12 ' N ' ' A' ' 699' ' ' GLN . 0.3 OUTLIER -90.65 165.68 13.58 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.237 -0.914 . . . . 0.0 110.415 -179.682 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 699' ' ' GLN . . . . . 0.922 ' N ' HD12 ' A' ' 698' ' ' LEU . 1.4 pp0? . . . . . 0 N--CA 1.491 1.62 0 O-C-N 121.369 -0.832 . . . . 0.0 110.189 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . 0.493 ' HB1' ' O ' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.287 0.565 . . . . 0.0 110.326 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 656' ' ' TRP . . . . . 0.679 ' CD2' ' CE2' ' A' ' 670' ' ' TYR . 66.9 t90 -68.48 132.32 46.78 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.241 -0.912 . . . . 0.0 110.386 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -123.83 164.63 18.82 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.319 -0.863 . . . . 0.0 110.007 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 658' ' ' VAL . . . . . 0.572 HG12 ' CH2' ' A' ' 656' ' ' TRP . 15.3 m -89.2 154.78 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.275 -0.891 . . . . 0.0 110.171 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 659' ' ' ASN . . . . . 0.416 ' CB ' ' O ' ' A' ' 658' ' ' VAL . 0.2 OUTLIER 63.5 50.01 2.96 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.238 -0.914 . . . . 0.0 109.994 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 660' ' ' THR . . . . . 0.701 ' O ' HG23 ' A' ' 682' ' ' THR . 91.7 m -135.79 161.4 35.7 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.249 -0.907 . . . . 0.0 110.319 -179.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -109.69 127.89 54.89 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.233 -0.917 . . . . 0.0 110.102 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 662' ' ' TYR . . . . . 0.442 ' HD2' ' HG ' ' A' ' 683' ' ' SER . 15.5 m-85 -118.59 157.07 28.06 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.205 -0.934 . . . . 0.0 110.342 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.41 167.97 9.4 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.177 -0.952 . . . . 0.0 109.949 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 664' ' ' ALA . . . . . 1.025 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -66.94 121.91 16.57 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.199 -0.938 . . . . 0.0 110.26 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 96.18 25.45 12.63 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . 0.456 ' HA ' ' OE1' ' A' ' 666' ' ' GLN . 0.0 OUTLIER -83.5 172.31 12.52 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.144 -1.21 . . . . 0.0 110.282 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 667' ' ' LEU . . . . . 0.723 HD23 ' HB2' ' A' ' 676' ' ' LYS . 26.8 mt -137.6 95.99 3.16 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.289 -0.882 . . . . 0.0 110.179 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 668' ' ' VAL . . . . . 0.438 HG21 ' HD1' ' A' ' 656' ' ' TRP . 2.6 m -105.68 176.55 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.419 -0.8 . . . . 0.0 109.988 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 669' ' ' THR . . . . . 0.493 ' O ' ' HB1' ' A' ' 655' ' ' ALA . 74.7 p -140.47 113.51 8.35 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.271 -0.893 . . . . 0.0 110.111 179.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 670' ' ' TYR . . . . . 0.679 ' CE2' ' CD2' ' A' ' 656' ' ' TRP . 72.4 m-85 -79.73 -165.35 0.79 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.253 -0.905 . . . . 0.0 109.926 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -47.25 95.46 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.117 -0.989 . . . . 0.0 109.773 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 672' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 670' ' ' TYR . . . 51.95 33.66 36.8 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 109.019 -1.632 . . . . 0.0 109.019 -179.566 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 673' ' ' LYS . . . . . 0.491 ' O ' ' HA ' ' A' ' 669' ' ' THR . 8.1 mmtt -124.11 145.77 49.05 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.355 -1.085 . . . . 0.0 110.361 -179.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 674' ' ' THR . . . . . 0.42 ' O ' ' HB2' ' A' ' 698' ' ' LEU . 0.2 OUTLIER -104.79 120.49 41.5 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.322 -0.861 . . . . 0.0 109.471 179.565 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 675' ' ' TYR . . . . . 0.619 ' CD2' ' HB3' ' A' ' 698' ' ' LEU . 14.8 m-85 -131.86 159.5 38.39 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.18 -0.95 . . . . 0.0 111.096 -179.16 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . 0.723 ' HB2' HD23 ' A' ' 667' ' ' LEU . 0.0 OUTLIER -140.48 118.96 12.22 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.415 -0.803 . . . . 0.0 109.668 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.13 148.67 49.61 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.25 -0.906 . . . . 0.0 110.575 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 678' ' ' LEU . 1.2 tt -121.1 -13.03 8.62 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.33 -0.856 . . . . 0.0 110.511 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 679' ' ' GLN . . . . . 0.516 ' HB3' ' CD2' ' A' ' 681' ' ' HIS . 0.0 OUTLIER -136.76 145.12 49.68 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.105 -0.997 . . . . 0.0 110.316 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 680' ' ' PRO . . . . . 1.025 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.1 Cg_exo -62.14 111.63 1.31 Allowed 'Trans proline' 0 C--N 1.312 -1.359 0 O-C-N 123.651 1.343 . . . . 0.0 110.801 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 681' ' ' HIS . . . . . 0.542 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 35.1 m-70 -156.01 -160.95 1.07 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.272 -0.893 . . . . 0.0 110.079 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 682' ' ' THR . . . . . 0.701 HG23 ' O ' ' A' ' 660' ' ' THR . 5.8 m -136.9 134.2 36.56 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.042 -1.036 . . . . 0.0 110.617 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 683' ' ' SER . . . . . 0.442 ' HG ' ' HD2' ' A' ' 662' ' ' TYR . 55.6 m -80.76 149.12 29.77 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.306 -0.871 . . . . 0.0 109.796 179.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . 0.635 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.6 OUTLIER -154.36 -177.53 6.52 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.336 -0.852 . . . . 0.0 110.396 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -64.65 77.25 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.284 -0.885 . . . . 0.0 110.334 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 686' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 169.12 -31.92 0.17 Allowed Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.844 -1.302 . . . . 0.0 109.844 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 687' ' ' TRP . . . . . 0.552 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 35.0 m0 -86.43 32.52 0.64 Allowed 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.065 -1.256 . . . . 0.0 110.42 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 688' ' ' GLU . . . . . 0.599 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.1 mt-10 -89.12 -48.08 0.41 Allowed Pre-proline 0 N--CA 1.495 1.815 0 O-C-N 121.138 -0.976 . . . . 0.0 110.663 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 689' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.5 Cg_endo -70.35 -0.73 7.84 Favored 'Trans proline' 0 C--N 1.314 -1.256 0 O-C-N 123.279 1.147 . . . . 0.0 110.779 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 690' ' ' SER . . . . . 0.455 ' O ' ' OG ' ' A' ' 690' ' ' SER . 3.9 p 60.12 53.53 4.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.227 -0.921 . . . . 0.0 110.024 -179.454 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 691' ' ' ASN . . . . . 0.439 ' OD1' HG13 ' A' ' 692' ' ' VAL . 9.6 p30 -84.89 17.11 2.98 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.269 -0.894 . . . . 0.0 110.382 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 692' ' ' VAL . . . . . 0.439 HG13 ' OD1' ' A' ' 691' ' ' ASN . 3.4 m -136.99 78.33 41.27 Favored Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.268 -0.895 . . . . 0.0 109.822 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -62.6 -9.45 15.97 Favored 'Trans proline' 0 C--N 1.311 -1.411 0 O-C-N 123.713 1.375 . . . . 0.0 110.781 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -74.47 -29.18 61.35 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.158 -0.964 . . . . 0.0 110.795 -179.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 695' ' ' LEU . . . . . 1.087 HD13 ' N ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -124.98 -12.7 6.97 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.968 -1.082 . . . . 0.0 110.921 -179.485 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 696' ' ' TRP . . . . . 1.087 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.8 OUTLIER -111.25 93.12 4.32 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.972 -1.08 . . . . 0.0 110.173 179.775 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 697' ' ' GLN . . . . . 0.469 ' HG2' ' HD2' ' A' ' 676' ' ' LYS . 1.8 tt0 -99.57 109.36 21.88 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.294 -0.879 . . . . 0.0 109.222 179.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . 0.707 HD12 ' N ' ' A' ' 699' ' ' GLN . 0.7 OUTLIER -96.02 -167.27 1.56 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.097 -1.002 . . . . 0.0 111.051 -179.216 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 699' ' ' GLN . . . . . 0.707 ' N ' HD12 ' A' ' 698' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.475 -0.766 . . . . 0.0 110.28 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . 0.517 ' N ' ' HG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.228 0.537 . . . . 0.0 110.231 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 656' ' ' TRP . . . . . 0.646 ' CD2' ' CE2' ' A' ' 670' ' ' TYR . 50.0 t90 -55.07 145.52 20.56 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.2 -0.937 . . . . 0.0 110.219 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -120.7 137.36 54.52 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.329 -0.857 . . . . 0.0 110.049 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 658' ' ' VAL . . . . . 0.537 HG22 ' CZ3' ' A' ' 656' ' ' TRP . 3.7 t -76.16 144.67 11.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.219 -0.926 . . . . 0.0 110.116 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 659' ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' ' 658' ' ' VAL . 1.4 t-20 65.69 55.75 0.97 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.248 -0.907 . . . . 0.0 110.305 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 91.2 m -140.09 138.63 35.48 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.212 -0.93 . . . . 0.0 110.233 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -83.08 113.49 20.65 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.238 -0.913 . . . . 0.0 110.111 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 662' ' ' TYR . . . . . 0.525 ' O ' ' HA ' ' A' ' 680' ' ' PRO . 46.3 m-85 -102.46 152.42 21.14 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.216 -0.928 . . . . 0.0 110.38 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 663' ' ' THR . . . . . 0.436 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 23.3 p -99.87 162.91 12.7 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.376 -0.828 . . . . 0.0 110.243 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 664' ' ' ALA . . . . . 0.966 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -57.5 133.93 55.65 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.274 -0.891 . . . . 0.0 110.16 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 81.75 29.32 39.4 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . 0.55 ' CB ' ' HB2' ' A' ' 677' ' ' CYS . 1.0 OUTLIER -85.35 164.37 18.0 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.271 -1.135 . . . . 0.0 110.067 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 667' ' ' LEU . . . . . 0.666 HD13 ' C ' ' A' ' 667' ' ' LEU . 1.7 tm? -127.5 106.74 9.39 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.319 -0.863 . . . . 0.0 110.32 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 668' ' ' VAL . . . . . 0.528 ' CG2' ' HB2' ' A' ' 675' ' ' TYR . 2.9 m -118.11 167.24 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.153 -0.967 . . . . 0.0 109.952 179.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 669' ' ' THR . . . . . 0.544 ' HA ' ' O ' ' A' ' 673' ' ' LYS . 60.7 p -140.51 111.6 7.11 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.185 -0.947 . . . . 0.0 110.365 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 670' ' ' TYR . . . . . 0.646 ' CE2' ' CD2' ' A' ' 656' ' ' TRP . 78.3 m-85 -80.19 -167.13 1.2 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.112 -0.993 . . . . 0.0 109.762 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -54.77 92.11 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.187 -0.946 . . . . 0.0 110.308 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 672' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 670' ' ' TYR . . . 66.39 37.31 92.65 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 673' ' ' LYS . . . . . 0.544 ' O ' ' HA ' ' A' ' 669' ' ' THR . 6.9 mptt -140.13 148.78 42.17 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.315 -1.109 . . . . 0.0 110.328 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 674' ' ' THR . . . . . 0.742 ' O ' HD12 ' A' ' 698' ' ' LEU . 85.0 m -120.18 116.42 25.59 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.455 -0.778 . . . . 0.0 109.649 179.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 675' ' ' TYR . . . . . 0.903 ' CE1' HD13 ' A' ' 698' ' ' LEU . 27.6 m-85 -114.82 168.8 9.58 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.218 -0.926 . . . . 0.0 110.959 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 697' ' ' GLN . 0.0 OUTLIER -138.44 102.77 4.71 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.548 -0.72 . . . . 0.0 110.209 -179.704 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . 0.55 ' HB2' ' CB ' ' A' ' 666' ' ' GLN . 0.0 OUTLIER -58.29 143.88 43.15 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.127 -0.983 . . . . 0.0 110.065 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 3.0 tp -116.36 -19.99 9.91 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.286 -0.884 . . . . 0.0 110.649 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 679' ' ' GLN . . . . . 0.425 ' HB3' ' NE2' ' A' ' 681' ' ' HIS . 11.8 mm100 -135.84 143.36 44.16 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 120.993 -1.067 . . . . 0.0 110.571 -179.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 680' ' ' PRO . . . . . 0.966 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 2.8 Cg_endo -63.35 92.76 0.16 Allowed 'Trans proline' 0 C--N 1.314 -1.246 0 O-C-N 123.582 1.307 . . . . 0.0 110.228 179.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 681' ' ' HIS . . . . . 0.425 ' NE2' ' HB3' ' A' ' 679' ' ' GLN . 10.5 m-70 -131.0 -166.07 1.65 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.248 -0.908 . . . . 0.0 110.355 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 4.1 m -126.03 118.96 26.42 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.256 -0.903 . . . . 0.0 110.343 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 49.4 m -90.08 140.44 29.65 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.239 -0.913 . . . . 0.0 109.717 179.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . 0.892 HD13 ' N ' ' A' ' 684' ' ' LEU . 0.0 OUTLIER -137.22 -167.67 2.15 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.262 -0.899 . . . . 0.0 110.888 -179.652 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -67.01 82.05 0.11 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.347 -0.846 . . . . 0.0 110.26 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 686' ' ' GLY . . . . . 0.448 ' O ' ' HD2' ' A' ' 689' ' ' PRO . . . 164.87 -31.48 0.24 Allowed Glycine 0 N--CA 1.489 2.223 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 2.3 m0 -86.72 32.89 0.65 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.117 -1.225 . . . . 0.0 110.464 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 688' ' ' GLU . . . . . 0.612 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 2.5 mt-10 -86.31 -45.83 0.57 Allowed Pre-proline 0 N--CA 1.494 1.762 0 O-C-N 121.168 -0.957 . . . . 0.0 110.704 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 689' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.8 Cg_endo -68.41 -6.36 17.37 Favored 'Trans proline' 0 C--N 1.315 -1.186 0 O-C-N 123.21 1.11 . . . . 0.0 110.05 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 690' ' ' SER . . . . . 0.495 ' O ' ' OG ' ' A' ' 690' ' ' SER . 1.3 p 68.72 56.48 0.44 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.439 -0.788 . . . . 0.0 109.81 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -79.56 6.34 10.73 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.23 -0.919 . . . . 0.0 110.569 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 692' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 692' ' ' VAL . 18.3 m -137.89 81.69 27.44 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.071 -1.018 . . . . 0.0 110.521 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.05 -20.99 70.15 Favored 'Trans proline' 0 C--N 1.311 -1.435 0 O-C-N 123.745 1.392 . . . . 0.0 110.534 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -49.87 -37.72 32.36 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.209 -0.932 . . . . 0.0 110.12 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 695' ' ' LEU . . . . . 1.063 HD13 ' N ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -122.68 -12.15 8.13 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.26 -0.9 . . . . 0.0 110.311 -179.917 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 696' ' ' TRP . . . . . 1.063 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.8 OUTLIER -103.66 101.47 11.32 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.002 -1.061 . . . . 0.0 110.024 179.552 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 697' ' ' GLN . . . . . 0.405 ' O ' ' HB2' ' A' ' 676' ' ' LYS . 35.1 tp60 -100.93 97.54 8.12 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.193 -0.942 . . . . 0.0 110.158 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . 0.903 HD13 ' CE1' ' A' ' 675' ' ' TYR . 20.5 tp -75.01 160.26 30.75 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.162 -0.961 . . . . 0.0 110.246 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 699' ' ' GLN . . . . . 0.531 ' N ' ' HG ' ' A' ' 698' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.238 -0.914 . . . . 0.0 110.164 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . 0.433 ' HA ' ' OG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.247 0.546 . . . . 0.0 110.191 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 656' ' ' TRP . . . . . 0.505 ' CD2' ' CE2' ' A' ' 670' ' ' TYR . 67.1 t90 -76.23 155.61 34.27 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.232 -0.917 . . . . 0.0 110.222 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -151.98 119.07 5.86 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.254 -0.903 . . . . 0.0 110.013 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 658' ' ' VAL . . . . . . . . . . . . . 3.1 p -50.98 149.87 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.181 -0.949 . . . . 0.0 110.254 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 60.95 52.29 4.21 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.279 -0.888 . . . . 0.0 110.026 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 50.5 m -140.22 139.37 35.61 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.256 -0.903 . . . . 0.0 110.407 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -77.69 143.54 38.03 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.184 -0.948 . . . . 0.0 110.353 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 662' ' ' TYR . . . . . 0.429 ' O ' ' HA ' ' A' ' 680' ' ' PRO . 29.0 m-85 -137.82 148.79 45.79 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.29 -0.881 . . . . 0.0 110.274 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 40.6 p -100.03 178.36 4.82 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.255 -0.903 . . . . 0.0 110.093 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 664' ' ' ALA . . . . . 1.079 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -81.83 131.47 35.26 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.228 -0.92 . . . . 0.0 110.195 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 85.97 26.93 32.88 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . 0.452 ' O ' ' HG ' ' A' ' 667' ' ' LEU . 0.0 OUTLIER -89.14 -178.2 5.61 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.144 -1.209 . . . . 0.0 109.815 179.773 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 667' ' ' LEU . . . . . 0.456 ' HA ' ' HA ' ' A' ' 676' ' ' LYS . 9.1 mt -142.68 99.38 3.47 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.014 -1.054 . . . . 0.0 110.907 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 668' ' ' VAL . . . . . . . . . . . . . 3.4 m -107.02 174.85 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.353 -0.842 . . . . 0.0 109.463 179.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 669' ' ' THR . . . . . 0.516 ' HA ' ' O ' ' A' ' 673' ' ' LYS . 68.1 p -139.75 127.01 21.24 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.951 -1.093 . . . . 0.0 110.22 179.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 670' ' ' TYR . . . . . 0.577 ' CE2' ' HA ' ' A' ' 688' ' ' GLU . 87.9 m-85 -95.22 91.82 6.47 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.089 -1.007 . . . . 0.0 110.514 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 43.53 85.09 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.32 -0.862 . . . . 0.0 110.726 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . 69.64 3.29 40.6 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 673' ' ' LYS . . . . . 0.519 ' HB2' ' HB2' ' A' ' 670' ' ' TYR . 3.4 mmtm -102.78 142.68 33.51 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.042 -1.269 . . . . 0.0 110.489 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 674' ' ' THR . . . . . 0.471 ' HB ' ' HG3' ' A' ' 699' ' ' GLN . 0.2 OUTLIER -104.25 115.68 30.82 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.34 -0.85 . . . . 0.0 109.934 179.754 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 675' ' ' TYR . . . . . 0.637 ' CE2' ' CB ' ' A' ' 690' ' ' SER . 17.9 m-85 -133.47 164.37 27.29 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.291 -0.88 . . . . 0.0 110.855 -179.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 667' ' ' LEU . 0.0 OUTLIER -141.24 143.02 33.91 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.519 -0.738 . . . . 0.0 109.74 179.584 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 665' ' ' GLY . 4.9 t -87.68 144.22 26.76 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.091 -1.006 . . . . 0.0 109.979 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.405 ' O ' ' HB1' ' A' ' 664' ' ' ALA . 0.0 OUTLIER -109.97 -22.52 11.8 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.229 -0.919 . . . . 0.0 110.231 -179.896 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 679' ' ' GLN . . . . . 0.408 ' HA ' ' HD3' ' A' ' 680' ' ' PRO . 2.1 mt-30 -133.91 143.44 47.47 Favored Pre-proline 0 N--CA 1.493 1.696 0 O-C-N 121.296 -0.878 . . . . 0.0 110.249 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 680' ' ' PRO . . . . . 1.079 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 2.8 Cg_endo -62.99 100.44 0.25 Allowed 'Trans proline' 0 C--N 1.312 -1.386 0 O-C-N 123.562 1.296 . . . . 0.0 110.467 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 681' ' ' HIS . . . . . 0.507 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 7.6 m-70 -139.81 -173.12 3.55 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.209 -0.932 . . . . 0.0 110.059 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 42.3 m -118.25 121.92 41.66 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.135 -0.978 . . . . 0.0 110.26 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 683' ' ' SER . . . . . 0.418 ' OG ' ' NE1' ' A' ' 656' ' ' TRP . 1.2 t -71.3 144.23 50.04 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.266 -0.896 . . . . 0.0 109.883 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . 0.6 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.8 OUTLIER -146.77 -177.17 5.51 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.27 -0.894 . . . . 0.0 110.584 -179.877 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -64.25 73.23 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.391 -0.818 . . . . 0.0 110.241 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 686' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 176.75 -33.23 0.08 OUTLIER Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 37.9 m0 -86.59 33.03 0.64 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.219 -1.165 . . . . 0.0 110.296 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 688' ' ' GLU . . . . . 0.587 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.9 mt-10 -89.62 -48.71 0.39 Allowed Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 121.187 -0.945 . . . . 0.0 110.428 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 689' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.5 Cg_endo -70.46 -4.64 14.9 Favored 'Trans proline' 0 C--N 1.313 -1.291 0 O-C-N 123.242 1.127 . . . . 0.0 109.942 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 690' ' ' SER . . . . . 0.637 ' CB ' ' CE2' ' A' ' 675' ' ' TYR . 0.1 OUTLIER 56.72 44.8 22.99 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.365 -0.835 . . . . 0.0 109.471 -179.295 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 691' ' ' ASN . . . . . 0.632 ' OD1' HG13 ' A' ' 692' ' ' VAL . 14.5 p30 -79.93 6.59 10.85 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.451 -0.781 . . . . 0.0 110.009 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 692' ' ' VAL . . . . . 0.632 HG13 ' OD1' ' A' ' 691' ' ' ASN . 6.7 m -122.8 81.5 49.23 Favored Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.311 -0.868 . . . . 0.0 109.884 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -61.37 -15.58 41.59 Favored 'Trans proline' 0 C--N 1.309 -1.501 0 O-C-N 123.788 1.415 . . . . 0.0 110.277 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -57.6 -27.05 62.38 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.327 -0.858 . . . . 0.0 110.494 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 695' ' ' LEU . . . . . 0.978 ' O ' HD22 ' A' ' 695' ' ' LEU . 0.0 OUTLIER -140.99 5.05 1.91 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.132 -0.98 . . . . 0.0 111.002 179.921 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 696' ' ' TRP . . . . . 0.635 ' N ' HD13 ' A' ' 695' ' ' LEU . 2.1 m95 -129.18 92.94 3.47 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.036 -1.04 . . . . 0.0 110.471 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -100.95 135.22 42.75 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.219 -0.926 . . . . 0.0 109.619 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . 0.687 HD12 ' N ' ' A' ' 699' ' ' GLN . 0.9 OUTLIER -114.12 -172.36 2.08 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.868 -1.145 . . . . 0.0 110.974 -179.373 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 699' ' ' GLN . . . . . 0.687 ' N ' HD12 ' A' ' 698' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.489 -0.757 . . . . 0.0 110.212 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . 0.464 ' HA ' ' OG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.113 0.482 . . . . 0.0 110.074 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 656' ' ' TRP . . . . . 0.501 ' CD2' ' CE1' ' A' ' 670' ' ' TYR . 52.2 t90 -63.74 138.59 58.55 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.176 -0.953 . . . . 0.0 110.205 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -122.47 116.43 23.93 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.355 -0.841 . . . . 0.0 110.152 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 658' ' ' VAL . . . . . 0.438 ' H ' HG12 ' A' ' 658' ' ' VAL . 2.8 p -59.13 155.45 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.253 -0.904 . . . . 0.0 110.181 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 48.69 63.27 2.17 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.322 -0.861 . . . . 0.0 109.859 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 660' ' ' THR . . . . . 0.447 ' O ' ' HA ' ' A' ' 682' ' ' THR . 29.8 m -140.32 158.12 44.52 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.319 -0.863 . . . . 0.0 110.403 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -99.18 112.9 24.94 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.328 -0.858 . . . . 0.0 110.236 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -113.86 138.5 50.22 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.237 -0.914 . . . . 0.0 110.166 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 663' ' ' THR . . . . . 0.459 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 60.4 p -100.43 149.35 23.75 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.268 -0.895 . . . . 0.0 110.11 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 664' ' ' ALA . . . . . 0.975 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -42.68 132.95 3.61 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.281 -0.887 . . . . 0.0 110.292 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . 92.92 21.33 30.99 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.767 -1.333 . . . . 0.0 109.767 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . 0.563 ' CB ' ' HB2' ' A' ' 677' ' ' CYS . 1.1 mm-40 -88.48 -179.64 6.12 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.185 -1.185 . . . . 0.0 109.99 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 667' ' ' LEU . . . . . 0.475 ' HA ' ' HA ' ' A' ' 676' ' ' LYS . 3.3 mt -147.12 116.26 6.92 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.109 -0.994 . . . . 0.0 110.62 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 668' ' ' VAL . . . . . 0.426 ' HB ' ' HA ' ' A' ' 656' ' ' TRP . 3.1 m -124.45 169.37 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.381 -0.824 . . . . 0.0 109.731 179.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 669' ' ' THR . . . . . 0.495 ' HA ' ' O ' ' A' ' 673' ' ' LYS . 1.6 p -140.69 115.22 9.45 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.157 -0.964 . . . . 0.0 110.225 179.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 670' ' ' TYR . . . . . 0.561 ' CE1' ' HA ' ' A' ' 688' ' ' GLU . 97.7 m-85 -86.51 -161.74 0.69 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.191 -0.943 . . . . 0.0 109.95 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . 0.426 ' OD1' ' C ' ' A' ' 671' ' ' ASN . 8.8 t-20 -45.19 93.34 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.267 -0.896 . . . . 0.0 110.068 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 672' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 670' ' ' TYR . . . 50.82 32.56 26.12 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.407 -1.477 . . . . 0.0 109.407 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 673' ' ' LYS . . . . . 0.495 ' O ' ' HA ' ' A' ' 669' ' ' THR . 0.1 OUTLIER -120.16 141.03 50.24 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.311 -1.111 . . . . 0.0 110.445 -179.715 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 674' ' ' THR . . . . . 0.473 ' O ' ' HB2' ' A' ' 698' ' ' LEU . 0.2 OUTLIER -103.04 119.35 38.69 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.169 -0.957 . . . . 0.0 109.853 179.59 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 675' ' ' TYR . . . . . 0.604 ' CE2' ' HB3' ' A' ' 698' ' ' LEU . 25.8 m-85 -132.13 160.96 34.48 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.115 -0.991 . . . . 0.0 110.896 -179.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . 0.544 ' CG ' ' HB3' ' A' ' 697' ' ' GLN . 0.5 OUTLIER -140.5 138.53 34.66 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.481 -0.762 . . . . 0.0 109.597 179.303 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . 0.563 ' HB2' ' CB ' ' A' ' 666' ' ' GLN . 0.0 OUTLIER -80.4 133.75 35.93 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.159 -0.963 . . . . 0.0 110.595 -179.495 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' A' ' 695' ' ' LEU . 3.6 mm? -105.47 -21.08 13.29 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.304 -0.873 . . . . 0.0 110.121 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 679' ' ' GLN . . . . . 0.405 ' HB2' ' CD2' ' A' ' 681' ' ' HIS . 38.5 mt-30 -133.35 142.92 45.99 Favored Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.25 -0.906 . . . . 0.0 109.974 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 680' ' ' PRO . . . . . 0.975 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 2.9 Cg_endo -60.35 94.9 0.1 Allowed 'Trans proline' 0 C--N 1.312 -1.389 0 O-C-N 123.583 1.307 . . . . 0.0 110.914 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 681' ' ' HIS . . . . . 0.457 ' HB3' ' CZ3' ' A' ' 687' ' ' TRP . 11.4 m-70 -137.01 163.7 30.11 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.201 -0.937 . . . . 0.0 110.109 179.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 682' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' A' ' 660' ' ' THR . 97.0 m -100.58 128.95 46.47 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.267 -0.896 . . . . 0.0 110.425 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.6 151.61 37.8 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.307 -0.871 . . . . 0.0 110.112 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . 0.709 ' H ' HD23 ' A' ' 684' ' ' LEU . 1.0 OUTLIER -153.37 179.27 8.92 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.324 -0.86 . . . . 0.0 110.421 179.897 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -64.56 69.75 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.24 -0.912 . . . . 0.0 110.165 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 686' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . -178.22 -32.97 0.05 OUTLIER Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 687' ' ' TRP . . . . . 0.457 ' CZ3' ' HB3' ' A' ' 681' ' ' HIS . 36.1 m0 -87.64 35.09 0.71 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.251 -1.147 . . . . 0.0 110.066 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 688' ' ' GLU . . . . . 0.584 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.1 mt-10 -89.84 -48.72 0.39 Allowed Pre-proline 0 N--CA 1.494 1.743 0 O-C-N 121.258 -0.901 . . . . 0.0 110.181 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 689' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.8 Cg_endo -71.73 -5.64 17.48 Favored 'Trans proline' 0 C--N 1.314 -1.283 0 O-C-N 123.217 1.114 . . . . 0.0 109.957 179.573 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 690' ' ' SER . . . . . 0.446 ' HB3' ' CE2' ' A' ' 675' ' ' TYR . 0.7 OUTLIER 64.16 61.54 0.91 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.394 -0.816 . . . . 0.0 110.124 -179.872 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -85.85 14.02 6.56 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.324 -0.86 . . . . 0.0 110.42 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 692' ' ' VAL . . . . . 0.493 HG23 ' CD1' ' A' ' 695' ' ' LEU . 17.9 m -140.05 76.96 26.63 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.041 -1.037 . . . . 0.0 110.547 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -60.84 -20.76 67.92 Favored 'Trans proline' 0 C--N 1.31 -1.488 0 O-C-N 123.594 1.313 . . . . 0.0 110.435 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -55.16 -40.48 70.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.334 -0.854 . . . . 0.0 110.316 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 695' ' ' LEU . . . . . 1.095 HD13 ' N ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -113.94 -14.49 12.45 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.099 -1.001 . . . . 0.0 110.008 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 696' ' ' TRP . . . . . 1.095 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.5 OUTLIER -106.25 99.91 9.47 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.289 -0.882 . . . . 0.0 109.552 179.292 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 697' ' ' GLN . . . . . 0.544 ' HB3' ' CG ' ' A' ' 676' ' ' LYS . 5.1 tp60 -99.45 113.25 25.5 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.17 -0.956 . . . . 0.0 110.126 -179.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . 0.651 HD12 ' N ' ' A' ' 699' ' ' GLN . 0.5 OUTLIER -105.3 -173.66 2.35 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.212 -0.93 . . . . 0.0 110.418 -179.758 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 699' ' ' GLN . . . . . 0.651 ' N ' HD12 ' A' ' 698' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.511 0 O-C-N 121.308 -0.87 . . . . 0.0 110.175 -179.903 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . 0.427 ' HA ' ' OG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.17 0.51 . . . . 0.0 110.212 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 656' ' ' TRP . . . . . 0.702 ' CH2' HG22 ' A' ' 658' ' ' VAL . 84.4 t90 -66.1 154.62 39.12 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.228 -0.92 . . . . 0.0 110.167 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -139.25 158.29 44.42 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.232 -0.918 . . . . 0.0 110.165 179.887 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 658' ' ' VAL . . . . . 0.702 HG22 ' CH2' ' A' ' 656' ' ' TRP . 15.0 t -89.62 148.05 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.296 -0.878 . . . . 0.0 110.439 -179.631 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 62.3 52.46 3.1 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.226 -0.922 . . . . 0.0 110.124 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 92.7 m -133.51 160.53 37.17 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.263 -0.898 . . . . 0.0 110.49 -179.802 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -101.64 131.55 47.81 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.246 -0.909 . . . . 0.0 110.132 179.787 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -126.63 151.89 47.41 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.2 -0.937 . . . . 0.0 110.314 -179.787 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 33.9 p -104.08 172.56 6.73 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.292 -0.88 . . . . 0.0 109.916 179.82 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 664' ' ' ALA . . . . . 0.887 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -70.65 127.02 31.26 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.256 -0.902 . . . . 0.0 110.416 -179.808 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 94.28 27.54 11.88 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 179.736 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . 0.536 ' CB ' ' HB2' ' A' ' 677' ' ' CYS . 0.0 OUTLIER -90.7 172.17 8.85 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.244 -1.151 . . . . 0.0 110.483 -179.896 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 667' ' ' LEU . . . . . 0.68 HD21 ' HE3' ' A' ' 676' ' ' LYS . 1.6 mt -132.46 116.41 16.75 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.386 -0.821 . . . . 0.0 109.811 179.622 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 668' ' ' VAL . . . . . 0.46 ' HB ' ' HB2' ' A' ' 656' ' ' TRP . 2.4 m -123.22 164.68 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.037 -1.039 . . . . 0.0 110.384 -179.718 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 669' ' ' THR . . . . . 0.831 ' CG2' HG23 ' A' ' 674' ' ' THR . 0.4 OUTLIER -140.86 122.68 15.37 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.246 -0.908 . . . . 0.0 110.104 179.671 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 670' ' ' TYR . . . . . 0.576 ' CE2' ' HA ' ' A' ' 688' ' ' GLU . 64.8 m-85 -92.12 73.98 5.48 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.147 -0.97 . . . . 0.0 110.036 179.822 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 670' ' ' TYR . 53.0 m-20 36.87 81.8 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.69 -0.632 . . . . 0.0 110.951 179.716 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . 107.45 -34.53 5.61 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.807 -1.317 . . . . 0.0 109.807 179.744 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 673' ' ' LYS . . . . . 0.487 ' HB2' ' HB2' ' A' ' 670' ' ' TYR . 8.4 mmtm -103.07 160.33 14.73 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.107 -1.231 . . . . 0.0 110.556 -179.761 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 674' ' ' THR . . . . . 0.831 HG23 ' CG2' ' A' ' 669' ' ' THR . 1.5 m -138.24 125.48 21.65 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.402 -0.811 . . . . 0.0 109.855 179.876 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 675' ' ' TYR . . . . . 0.797 ' CZ ' HD13 ' A' ' 698' ' ' LEU . 52.8 m-85 -122.39 -179.08 4.07 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.102 -0.998 . . . . 0.0 110.534 -179.899 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . 0.68 ' HE3' HD21 ' A' ' 667' ' ' LEU . 0.5 OUTLIER -140.48 113.1 8.06 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.343 -0.848 . . . . 0.0 110.39 -179.745 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . 0.536 ' HB2' ' CB ' ' A' ' 666' ' ' GLN . 0.1 OUTLIER -61.09 133.12 55.71 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.153 -0.967 . . . . 0.0 109.821 179.579 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.563 ' O ' HD23 ' A' ' 678' ' ' LEU . 0.9 OUTLIER -110.29 -18.49 13.26 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.293 -0.879 . . . . 0.0 110.426 -179.676 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 679' ' ' GLN . . . . . 0.425 ' HA ' ' HB2' ' A' ' 664' ' ' ALA . 0.5 OUTLIER -144.36 149.92 46.23 Favored Pre-proline 0 N--CA 1.49 1.551 0 O-C-N 121.241 -0.912 . . . . 0.0 110.422 -179.704 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 680' ' ' PRO . . . . . 0.887 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.3 Cg_exo -58.04 105.72 0.22 Allowed 'Trans proline' 0 C--N 1.312 -1.394 0 O-C-N 123.724 1.381 . . . . 0.0 110.642 179.758 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 681' ' ' HIS . . . . . 0.444 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 9.9 m80 -146.16 167.79 22.57 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.224 -0.923 . . . . 0.0 110.249 -179.884 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 54.9 m -106.18 126.98 52.88 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.254 -0.904 . . . . 0.0 110.39 -179.802 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 35.3 p -78.91 145.35 34.14 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.28 -0.888 . . . . 0.0 109.972 179.716 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . 0.667 ' H ' HD23 ' A' ' 684' ' ' LEU . 1.1 pt? -146.03 171.49 14.8 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.256 -0.902 . . . . 0.0 110.756 -179.778 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 685' ' ' ALA . . . . . 0.419 ' N ' HG13 ' A' ' 658' ' ' VAL . . . -63.15 75.51 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.314 -0.866 . . . . 0.0 110.135 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 686' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 173.72 -32.48 0.11 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.252 -1.539 . . . . 0.0 109.252 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 687' ' ' TRP . . . . . . . . . . . . . 18.1 m0 -89.09 38.19 0.88 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.327 -1.102 . . . . 0.0 109.903 179.86 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 688' ' ' GLU . . . . . 0.607 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.7 mt-10 -87.98 -47.34 0.46 Allowed Pre-proline 0 N--CA 1.496 1.847 0 O-C-N 121.429 -0.794 . . . . 0.0 110.694 -179.878 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 689' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.8 Cg_endo -69.63 -3.51 12.08 Favored 'Trans proline' 0 C--N 1.316 -1.175 0 O-C-N 123.235 1.124 . . . . 0.0 110.467 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 690' ' ' SER . . . . . 0.583 ' HB3' ' CE2' ' A' ' 675' ' ' TYR . 1.5 p 64.3 56.28 1.34 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.303 -0.873 . . . . 0.0 109.703 -179.612 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -81.92 13.67 3.17 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.286 -0.884 . . . . 0.0 110.855 -179.372 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 692' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 692' ' ' VAL . 17.2 m -140.15 83.11 16.12 Favored Pre-proline 0 N--CA 1.494 1.727 0 O-C-N 120.97 -1.081 . . . . 0.0 110.529 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.11 -12.6 23.73 Favored 'Trans proline' 0 C--N 1.31 -1.473 0 O-C-N 123.654 1.344 . . . . 0.0 110.379 179.9 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -58.55 -39.39 80.08 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.318 -0.864 . . . . 0.0 110.457 -179.885 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 695' ' ' LEU . . . . . 1.057 HD13 ' N ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -123.46 -11.5 7.85 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.238 -0.914 . . . . 0.0 110.211 -179.793 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 696' ' ' TRP . . . . . 1.057 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.4 OUTLIER -103.9 108.16 19.36 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.224 -0.923 . . . . 0.0 110.153 179.512 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 697' ' ' GLN . . . . . 0.477 ' O ' ' HB2' ' A' ' 676' ' ' LYS . 5.7 tt0 -99.94 93.92 6.02 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.156 -0.965 . . . . 0.0 109.82 179.828 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . 0.797 HD13 ' CZ ' ' A' ' 675' ' ' TYR . 19.9 tp -70.49 154.21 42.12 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.185 -0.947 . . . . 0.0 110.426 -179.553 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 699' ' ' GLN . . . . . 0.422 ' N ' ' HG ' ' A' ' 698' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.351 -0.843 . . . . 0.0 110.283 -179.91 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . 0.471 ' HA ' ' OG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.193 0.52 . . . . 0.0 110.17 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 656' ' ' TRP . . . . . 0.639 ' CD1' ' CZ ' ' A' ' 670' ' ' TYR . 55.3 t90 -57.61 131.8 51.32 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.269 -0.895 . . . . 0.0 109.939 179.871 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -107.5 142.77 36.85 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.26 -0.9 . . . . 0.0 110.456 -179.671 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 658' ' ' VAL . . . . . 0.402 ' O ' ' HB2' ' A' ' 659' ' ' ASN . 8.5 p -79.19 154.02 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.248 -0.908 . . . . 0.0 110.246 179.937 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 659' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' A' ' 658' ' ' VAL . 3.2 m120 55.78 55.39 7.13 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.238 -0.914 . . . . 0.0 109.779 -179.75 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 21.9 m -139.92 154.55 47.27 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.311 -0.868 . . . . 0.0 110.332 -179.475 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -97.85 122.81 41.41 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.32 -0.862 . . . . 0.0 110.164 179.861 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -112.68 167.78 10.2 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.328 -0.857 . . . . 0.0 110.22 179.865 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.92 -172.7 2.13 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.359 -0.838 . . . . 0.0 110.114 179.828 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 664' ' ' ALA . . . . . 0.718 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -81.4 151.07 28.09 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.208 -0.933 . . . . 0.0 110.572 -179.526 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . 0.421 ' CA ' ' O ' ' A' ' 677' ' ' CYS . . . 55.3 34.92 59.65 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 179.878 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . 0.513 ' O ' ' HA ' ' A' ' 676' ' ' LYS . 0.0 OUTLIER -85.4 175.19 9.01 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.294 -1.121 . . . . 0.0 110.308 179.923 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 667' ' ' LEU . . . . . 0.763 HD13 ' C ' ' A' ' 667' ' ' LEU . 3.0 tm? -130.52 117.56 19.79 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.266 -0.896 . . . . 0.0 110.34 -179.828 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 668' ' ' VAL . . . . . 0.436 ' CG2' ' HB2' ' A' ' 675' ' ' TYR . 3.2 m -129.98 177.47 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.223 -0.923 . . . . 0.0 110.214 179.947 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 669' ' ' THR . . . . . 0.507 ' HA ' ' O ' ' A' ' 673' ' ' LYS . 0.9 OUTLIER -140.85 120.47 13.31 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.166 -0.959 . . . . 0.0 109.985 179.769 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 670' ' ' TYR . . . . . 0.639 ' CZ ' ' CD1' ' A' ' 656' ' ' TRP . 65.3 m-85 -95.59 92.16 6.49 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.0 -1.062 . . . . 0.0 110.884 -179.599 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 670' ' ' TYR . 41.9 t30 40.69 86.75 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.305 -0.872 . . . . 0.0 111.26 179.324 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . 71.4 2.05 46.9 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 110.342 -1.103 . . . . 0.0 110.342 179.125 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 673' ' ' LYS . . . . . 0.507 ' O ' ' HA ' ' A' ' 669' ' ' THR . 16.2 mmtp -112.49 157.26 21.33 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.989 -1.3 . . . . 0.0 110.237 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 674' ' ' THR . . . . . 0.557 ' O ' HD12 ' A' ' 698' ' ' LEU . 12.0 m -123.95 123.83 41.26 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.328 -0.858 . . . . 0.0 109.682 179.659 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 675' ' ' TYR . . . . . 0.775 ' CZ ' HD13 ' A' ' 698' ' ' LEU . 19.7 m-85 -125.08 170.98 10.65 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.213 -0.93 . . . . 0.0 110.599 -179.475 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . 0.513 ' HA ' ' O ' ' A' ' 666' ' ' GLN . 0.3 OUTLIER -140.37 103.4 4.56 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.372 -0.83 . . . . 0.0 110.014 -179.802 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . 0.507 ' HB3' ' HB2' ' A' ' 666' ' ' GLN . 0.1 OUTLIER -52.08 148.08 6.63 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.224 -0.922 . . . . 0.0 110.258 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.578 HD23 ' OE1' ' A' ' 679' ' ' GLN . 0.8 OUTLIER -119.65 -8.19 9.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.24 -0.913 . . . . 0.0 110.097 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 679' ' ' GLN . . . . . 0.578 ' OE1' HD23 ' A' ' 678' ' ' LEU . 0.1 OUTLIER -160.0 154.53 20.47 Favored Pre-proline 0 N--CA 1.49 1.552 0 O-C-N 121.187 -0.945 . . . . 0.0 110.464 179.93 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 680' ' ' PRO . . . . . 0.718 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.2 Cg_exo -60.63 116.21 3.19 Favored 'Trans proline' 0 C--N 1.312 -1.38 0 O-C-N 123.825 1.434 . . . . 0.0 110.981 -179.932 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 681' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 680' ' ' PRO . 51.0 m-70 -156.93 177.05 11.95 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.215 -0.928 . . . . 0.0 110.398 179.711 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 682' ' ' THR . . . . . 0.428 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 22.7 m -116.26 121.49 42.16 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.232 -0.918 . . . . 0.0 110.593 -179.591 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 1.4 m -79.38 143.34 35.18 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.222 -0.924 . . . . 0.0 110.036 179.769 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . 0.58 ' O ' HD23 ' A' ' 684' ' ' LEU . 0.5 OUTLIER -149.24 -177.47 5.85 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.263 -0.898 . . . . 0.0 110.507 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -60.25 85.63 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.331 -0.856 . . . . 0.0 110.167 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 686' ' ' GLY . . . . . 0.451 ' O ' ' HD2' ' A' ' 689' ' ' PRO . . . 158.81 -36.51 0.5 Allowed Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.764 -1.334 . . . . 0.0 109.764 179.899 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 687' ' ' TRP . . . . . 0.428 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 34.3 m0 -85.75 31.88 0.6 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.147 -1.208 . . . . 0.0 110.671 -179.696 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 688' ' ' GLU . . . . . 0.598 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 0.6 OUTLIER -87.55 -48.01 0.47 Allowed Pre-proline 0 N--CA 1.494 1.748 0 O-C-N 121.052 -1.03 . . . . 0.0 110.477 179.976 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 689' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.9 Cg_endo -69.97 -5.6 16.73 Favored 'Trans proline' 0 C--N 1.314 -1.288 0 O-C-N 123.264 1.139 . . . . 0.0 110.239 179.756 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 690' ' ' SER . . . . . 0.5 ' O ' ' OG ' ' A' ' 690' ' ' SER . 1.5 p 68.22 61.04 0.4 Allowed 'General case' 0 N--CA 1.495 1.786 0 CA-C-O 121.671 0.748 . . . . 0.0 110.219 -179.775 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 691' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -81.79 0.35 39.62 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.045 -1.034 . . . . 0.0 110.714 -179.861 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 692' ' ' VAL . . . . . 0.487 ' O ' ' HB2' ' A' ' 696' ' ' TRP . 6.6 m -128.97 83.07 67.35 Favored Pre-proline 0 N--CA 1.493 1.7 0 O-C-N 121.04 -1.037 . . . . 0.0 110.426 -179.66 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -59.48 -26.26 81.39 Favored 'Trans proline' 0 C--N 1.31 -1.468 0 O-C-N 123.736 1.387 . . . . 0.0 110.681 -179.869 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -50.81 -40.04 54.56 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.306 -0.871 . . . . 0.0 110.444 -179.838 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 695' ' ' LEU . . . . . 1.051 HD13 ' N ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -120.57 -11.79 9.02 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.098 -1.001 . . . . 0.0 110.886 -179.691 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 696' ' ' TRP . . . . . 1.051 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.3 OUTLIER -110.11 109.0 19.37 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.973 -1.079 . . . . 0.0 110.058 179.407 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 697' ' ' GLN . . . . . 0.423 ' HG3' ' N ' ' A' ' 698' ' ' LEU . 6.8 tp60 -100.02 156.81 16.96 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.263 -0.898 . . . . 0.0 109.752 179.809 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . 0.775 HD13 ' CZ ' ' A' ' 675' ' ' TYR . 19.1 tp -128.33 153.62 46.83 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.081 -1.012 . . . . 0.0 110.325 -179.756 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 699' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' ' 698' ' ' LEU . 19.2 mt-30 . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.478 -0.764 . . . . 0.0 110.275 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . 0.425 ' HB1' ' O ' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.223 0.535 . . . . 0.0 110.241 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 656' ' ' TRP . . . . . 0.67 ' CH2' HG12 ' A' ' 658' ' ' VAL . 91.6 t90 -74.72 141.9 44.45 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.318 -0.864 . . . . 0.0 110.221 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -139.61 140.2 36.93 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.181 -0.949 . . . . 0.0 110.242 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 658' ' ' VAL . . . . . 0.67 HG12 ' CH2' ' A' ' 656' ' ' TRP . 24.7 m -70.79 164.55 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.296 -0.878 . . . . 0.0 110.056 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 659' ' ' ASN . . . . . 0.407 ' O ' ' CG ' ' A' ' 659' ' ' ASN . 21.1 t30 48.99 45.12 22.87 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.291 -0.881 . . . . 0.0 109.707 -179.741 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 23.0 m -138.91 122.51 17.4 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.37 -0.831 . . . . 0.0 110.321 -179.796 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . 0.479 ' HA ' ' HA ' ' A' ' 682' ' ' THR . . . -75.31 137.01 40.86 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.273 -0.892 . . . . 0.0 110.203 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 662' ' ' TYR . . . . . 0.518 ' O ' ' HA ' ' A' ' 680' ' ' PRO . 16.3 m-85 -121.96 162.93 20.2 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.245 -0.909 . . . . 0.0 110.199 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 663' ' ' THR . . . . . 0.425 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 12.1 p -107.04 -171.21 1.84 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.164 -0.96 . . . . 0.0 110.264 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 664' ' ' ALA . . . . . 0.821 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -83.22 157.14 22.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.192 -0.943 . . . . 0.0 110.192 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 55.4 22.39 30.63 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 179.917 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . 0.469 ' HB3' ' CB ' ' A' ' 677' ' ' CYS . 9.8 tp-100 -79.39 171.12 15.6 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.182 -1.187 . . . . 0.0 110.085 179.895 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.17 126.41 40.99 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.219 -0.926 . . . . 0.0 110.392 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 668' ' ' VAL . . . . . . . . . . . . . 2.2 m -139.29 163.3 26.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.27 -0.893 . . . . 0.0 109.913 179.902 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 669' ' ' THR . . . . . 0.534 ' HA ' ' O ' ' A' ' 673' ' ' LYS . 3.1 p -140.53 119.97 13.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.119 -0.988 . . . . 0.0 110.072 179.525 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 670' ' ' TYR . . . . . 0.507 ' O ' ' N ' ' A' ' 672' ' ' GLY . 64.0 m-85 -79.76 89.88 5.22 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.171 -0.955 . . . . 0.0 110.157 -179.911 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' A' ' 670' ' ' TYR . 9.5 m120 64.08 -69.83 0.08 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.373 -0.829 . . . . 0.0 110.046 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 672' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 670' ' ' TYR . . . -137.12 13.24 3.83 Favored Glycine 0 N--CA 1.488 2.15 0 N-CA-C 109.039 -1.624 . . . . 0.0 109.039 179.677 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 673' ' ' LYS . . . . . 0.534 ' O ' ' HA ' ' A' ' 669' ' ' THR . 3.7 mmtp -101.84 146.92 27.14 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.407 -1.055 . . . . 0.0 110.28 -179.804 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 674' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.68 132.15 45.2 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.374 -0.829 . . . . 0.0 109.447 179.353 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 675' ' ' TYR . . . . . 0.479 ' HA ' ' HA ' ' A' ' 698' ' ' LEU . 16.9 m-85 -145.29 157.42 44.06 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.957 -1.089 . . . . 0.0 111.064 -179.511 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . 0.48 ' HD3' ' NE2' ' A' ' 699' ' ' GLN . 0.0 OUTLIER -140.33 118.9 12.29 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.531 -0.731 . . . . 0.0 109.777 179.885 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . 0.479 ' O ' ' N ' ' A' ' 665' ' ' GLY . 0.6 OUTLIER -70.7 144.04 51.13 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.182 -0.949 . . . . 0.0 110.543 -179.616 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.539 ' O ' ' HB1' ' A' ' 664' ' ' ALA . 4.3 mp -108.66 -31.06 7.9 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.167 -0.958 . . . . 0.0 110.06 179.758 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 679' ' ' GLN . . . . . 0.44 ' HB3' ' NE2' ' A' ' 681' ' ' HIS . 0.0 OUTLIER -129.65 142.44 45.3 Favored Pre-proline 0 N--CA 1.492 1.659 0 O-C-N 121.259 -0.9 . . . . 0.0 110.191 -179.997 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 680' ' ' PRO . . . . . 0.821 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.1 Cg_exo -60.88 107.39 0.44 Allowed 'Trans proline' 0 C--N 1.313 -1.294 0 O-C-N 123.46 1.242 . . . . 0.0 110.968 -179.905 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 681' ' ' HIS . . . . . 0.524 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 9.1 m-70 -139.1 -158.27 0.84 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.229 -0.919 . . . . 0.0 110.04 179.664 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 682' ' ' THR . . . . . 0.479 ' HA ' ' HA ' ' A' ' 661' ' ' ALA . 6.3 m -124.86 133.99 52.88 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.093 -1.005 . . . . 0.0 110.901 -179.478 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 683' ' ' SER . . . . . 0.518 ' HG ' ' HE1' ' A' ' 656' ' ' TRP . 0.5 OUTLIER -90.48 140.36 29.81 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.318 -0.864 . . . . 0.0 109.649 179.368 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . 0.683 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.8 OUTLIER -155.93 179.31 9.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.258 -0.901 . . . . 0.0 110.67 -179.837 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -65.33 71.59 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.399 -0.813 . . . . 0.0 109.998 179.889 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 686' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . -178.2 -33.49 0.05 OUTLIER Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.199 -1.56 . . . . 0.0 109.199 -179.868 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 687' ' ' TRP . . . . . 0.429 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 38.0 m0 -88.53 37.29 0.82 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.286 -1.126 . . . . 0.0 109.97 179.767 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 688' ' ' GLU . . . . . 0.587 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 2.1 mt-10 -90.27 -47.92 0.38 Allowed Pre-proline 0 N--CA 1.495 1.798 0 O-C-N 121.37 -0.831 . . . . 0.0 110.951 -179.49 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 689' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.6 Cg_endo -70.01 -3.51 12.33 Favored 'Trans proline' 0 C--N 1.315 -1.198 0 O-C-N 123.199 1.105 . . . . 0.0 110.201 -179.908 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 690' ' ' SER . . . . . . . . . . . . . 5.0 p 56.25 46.43 21.26 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.28 -0.888 . . . . 0.0 109.654 -179.223 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 691' ' ' ASN . . . . . 0.58 ' OD1' HG13 ' A' ' 692' ' ' VAL . 8.9 p30 -79.72 10.86 3.6 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.246 -0.909 . . . . 0.0 110.728 -179.754 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 692' ' ' VAL . . . . . 0.58 HG13 ' OD1' ' A' ' 691' ' ' ASN . 11.9 m -130.66 80.25 70.35 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.125 -0.984 . . . . 0.0 110.086 179.741 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -60.85 -19.72 63.25 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.773 1.407 . . . . 0.0 110.648 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -54.93 -28.89 54.51 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.217 -0.927 . . . . 0.0 110.275 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 695' ' ' LEU . . . . . 1.046 ' O ' HD22 ' A' ' 695' ' ' LEU . 0.0 OUTLIER -136.12 -4.5 2.16 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.172 -0.955 . . . . 0.0 111.007 -179.69 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 696' ' ' TRP . . . . . 0.959 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.7 OUTLIER -120.4 120.97 37.5 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.928 -1.108 . . . . 0.0 110.854 -179.976 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 697' ' ' GLN . . . . . 0.526 ' HG2' ' N ' ' A' ' 698' ' ' LEU . 29.0 tt0 -116.43 157.83 24.5 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.396 -0.815 . . . . 0.0 109.179 179.196 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . 0.686 HD12 ' N ' ' A' ' 699' ' ' GLN . 1.0 OUTLIER -140.57 164.84 29.08 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.909 -1.119 . . . . 0.0 110.61 -179.973 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 699' ' ' GLN . . . . . 0.686 ' N ' HD12 ' A' ' 698' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.493 1.704 0 O-C-N 121.496 -0.752 . . . . 0.0 110.054 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . 0.948 ' N ' ' HG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 121.065 0.46 . . . . 0.0 110.136 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 656' ' ' TRP . . . . . 0.623 ' CD2' ' CE2' ' A' ' 670' ' ' TYR . 89.5 t90 -66.7 143.34 57.02 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.048 -1.033 . . . . 0.0 109.859 179.537 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -137.13 153.27 50.54 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.132 -0.98 . . . . 0.0 110.443 -179.836 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 658' ' ' VAL . . . . . 0.447 HG22 ' CH2' ' A' ' 656' ' ' TRP . 18.4 t -78.17 154.94 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.297 -0.877 . . . . 0.0 110.029 179.771 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 57.93 53.36 6.95 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.22 -0.925 . . . . 0.0 110.124 -179.785 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 16.5 m -140.19 131.48 26.66 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.306 -0.871 . . . . 0.0 110.296 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -77.58 124.52 28.03 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.274 -0.891 . . . . 0.0 110.239 179.941 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -114.97 163.16 15.98 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.288 -0.882 . . . . 0.0 110.228 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 663' ' ' THR . . . . . 0.429 ' O ' ' HB3' ' A' ' 677' ' ' CYS . 0.0 OUTLIER -109.69 -172.47 2.05 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.24 -0.912 . . . . 0.0 110.027 179.905 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 664' ' ' ALA . . . . . 0.908 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -83.49 160.24 21.55 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.157 -0.964 . . . . 0.0 110.444 -179.667 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 50.67 28.55 16.05 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.69 -1.364 . . . . 0.0 109.69 179.888 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . 0.427 ' O ' ' HA ' ' A' ' 676' ' ' LYS . 0.5 OUTLIER -84.01 176.03 9.12 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.222 -1.163 . . . . 0.0 110.038 179.893 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 667' ' ' LEU . . . . . 0.465 HD13 ' O ' ' A' ' 675' ' ' TYR . 0.2 OUTLIER -136.74 111.14 8.51 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.195 -0.94 . . . . 0.0 110.74 -179.746 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 668' ' ' VAL . . . . . . . . . . . . . 2.4 m -120.33 173.71 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.315 -0.866 . . . . 0.0 109.343 179.537 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 669' ' ' THR . . . . . 0.948 ' HG1' ' N ' ' A' ' 655' ' ' ALA . 2.8 p -140.31 121.09 14.41 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.811 -1.181 . . . . 0.0 110.183 179.663 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 670' ' ' TYR . . . . . 0.623 ' CE2' ' CD2' ' A' ' 656' ' ' TRP . 60.1 m-85 -91.45 -161.02 0.78 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.336 -0.852 . . . . 0.0 109.94 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . 0.416 ' CG ' ' O ' ' A' ' 671' ' ' ASN . 17.7 p-10 -47.46 92.56 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.168 -0.957 . . . . 0.0 109.906 179.74 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 672' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 670' ' ' TYR . . . 52.88 28.99 33.28 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.181 -1.568 . . . . 0.0 109.181 -179.53 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 673' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.57 152.05 34.93 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.309 -1.113 . . . . 0.0 110.464 -179.741 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 674' ' ' THR . . . . . 0.468 ' O ' ' HB2' ' A' ' 698' ' ' LEU . 26.2 m -111.99 114.0 26.63 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.338 -0.852 . . . . 0.0 109.192 179.39 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 675' ' ' TYR . . . . . 0.926 ' CZ ' HD22 ' A' ' 698' ' ' LEU . 8.1 m-85 -119.65 159.72 23.89 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.151 -0.968 . . . . 0.0 111.576 -178.822 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . 0.46 ' HB3' ' O ' ' A' ' 697' ' ' GLN . 1.5 tmtt? -139.69 113.93 9.0 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.468 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 665' ' ' GLY . 0.0 OUTLIER -64.45 144.63 57.04 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.216 -0.928 . . . . 0.0 110.604 -179.447 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.671 ' O ' HD23 ' A' ' 678' ' ' LEU . 2.9 tt -112.29 -17.03 12.84 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.357 -0.839 . . . . 0.0 109.932 179.889 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 679' ' ' GLN . . . . . 0.538 ' HB3' ' NE2' ' A' ' 681' ' ' HIS . 0.7 OUTLIER -145.6 149.17 39.37 Favored Pre-proline 0 N--CA 1.489 1.501 0 O-C-N 121.24 -0.912 . . . . 0.0 110.33 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 680' ' ' PRO . . . . . 0.908 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.2 Cg_exo -60.82 114.08 2.0 Allowed 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.752 1.396 . . . . 0.0 111.162 -179.889 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 681' ' ' HIS . . . . . 0.543 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 40.8 m-70 -149.02 -160.64 1.2 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.303 -0.873 . . . . 0.0 110.15 179.343 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 682' ' ' THR . . . . . 0.462 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 17.4 m -138.01 123.74 19.88 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.188 -0.945 . . . . 0.0 110.39 -179.775 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 683' ' ' SER . . . . . 0.476 ' HB2' ' CZ2' ' A' ' 656' ' ' TRP . 83.7 p -71.05 141.83 50.89 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.269 -0.895 . . . . 0.0 110.034 179.847 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . 0.604 ' H ' HD23 ' A' ' 684' ' ' LEU . 1.0 OUTLIER -141.12 175.63 9.48 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.317 -0.864 . . . . 0.0 110.188 179.897 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -66.86 79.92 0.11 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.191 -0.943 . . . . 0.0 110.053 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 686' ' ' GLY . . . . . 0.44 ' O ' ' HD2' ' A' ' 689' ' ' PRO . . . 162.92 -23.05 0.19 Allowed Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 -179.904 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 687' ' ' TRP . . . . . 0.543 ' CG ' ' CD2' ' A' ' 684' ' ' LEU . 16.8 m0 -86.67 32.83 0.65 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.146 -1.208 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 688' ' ' GLU . . . . . 0.597 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 2.2 mt-10 -88.55 -47.17 0.44 Allowed Pre-proline 0 N--CA 1.495 1.821 0 O-C-N 121.196 -0.94 . . . . 0.0 110.659 -179.795 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 689' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.7 Cg_endo -70.56 -2.96 11.59 Favored 'Trans proline' 0 C--N 1.315 -1.206 0 O-C-N 123.2 1.105 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 690' ' ' SER . . . . . 0.492 ' O ' ' OG ' ' A' ' 690' ' ' SER . 1.7 p 64.82 59.11 0.92 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.43 -0.794 . . . . 0.0 110.031 -179.622 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 691' ' ' ASN . . . . . 0.405 ' H ' ' ND2' ' A' ' 691' ' ' ASN . 5.1 m-80 -79.5 5.89 11.75 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.164 -0.96 . . . . 0.0 110.419 -179.807 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 692' ' ' VAL . . . . . 0.509 HG23 ' CD1' ' A' ' 695' ' ' LEU . 17.6 m -135.91 76.76 51.97 Favored Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.149 -0.969 . . . . 0.0 110.161 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -60.47 -16.9 44.87 Favored 'Trans proline' 0 C--N 1.312 -1.382 0 O-C-N 123.631 1.332 . . . . 0.0 110.41 -179.91 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -59.36 -41.65 89.77 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.197 -0.939 . . . . 0.0 110.084 179.918 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 695' ' ' LEU . . . . . 1.092 HD13 ' N ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -114.09 -15.31 12.28 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.268 -0.895 . . . . 0.0 110.268 -179.895 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 696' ' ' TRP . . . . . 1.092 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.1 OUTLIER -104.99 92.07 4.07 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.181 -0.95 . . . . 0.0 110.018 179.723 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 697' ' ' GLN . . . . . 0.46 ' O ' ' HB3' ' A' ' 676' ' ' LYS . 1.1 tt0 -106.7 102.35 11.73 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.137 -0.977 . . . . 0.0 109.904 179.876 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . 0.926 HD22 ' CZ ' ' A' ' 675' ' ' TYR . 0.7 OUTLIER -97.22 -163.82 1.08 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.233 -0.917 . . . . 0.0 110.522 -179.618 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 699' ' ' GLN . . . . . 0.62 ' N ' HD12 ' A' ' 698' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.373 -0.83 . . . . 0.0 110.05 -179.915 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . 0.498 ' HB1' ' O ' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 121.272 0.558 . . . . 0.0 110.181 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 656' ' ' TRP . . . . . 0.586 ' CZ2' ' HB3' ' A' ' 683' ' ' SER . 91.1 t90 -71.25 137.97 49.03 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.124 -0.985 . . . . 0.0 110.253 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -130.73 149.11 52.53 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.283 -0.886 . . . . 0.0 110.146 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 658' ' ' VAL . . . . . 0.428 ' O ' ' HB2' ' A' ' 659' ' ' ASN . 4.0 p -72.79 153.35 7.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.219 -0.926 . . . . 0.0 110.158 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 659' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' A' ' 658' ' ' VAL . 1.3 m-80 59.19 47.97 10.99 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.28 -0.887 . . . . 0.0 109.949 -179.809 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 96.1 m -132.15 147.1 52.41 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.238 -0.914 . . . . 0.0 110.312 -179.856 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -96.52 127.18 42.27 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.324 -0.86 . . . . 0.0 110.215 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 662' ' ' TYR . . . . . 0.509 ' HD2' ' HG ' ' A' ' 683' ' ' SER . 15.4 m-85 -118.94 150.82 39.26 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.165 -0.96 . . . . 0.0 110.237 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 66.2 p -99.72 178.52 4.81 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.294 -0.879 . . . . 0.0 110.092 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 664' ' ' ALA . . . . . 0.97 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -75.85 143.11 41.98 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.212 -0.93 . . . . 0.0 110.109 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 76.49 20.0 77.37 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 179.939 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -84.51 174.07 10.32 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.267 -1.137 . . . . 0.0 110.106 179.914 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -138.43 99.19 3.77 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.032 -1.043 . . . . 0.0 110.704 -179.694 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 668' ' ' VAL . . . . . 0.445 ' HB ' ' HB2' ' A' ' 656' ' ' TRP . 2.7 m -102.97 170.05 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.201 -0.937 . . . . 0.0 109.674 179.253 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 669' ' ' THR . . . . . 0.498 ' O ' ' HB1' ' A' ' 655' ' ' ALA . 9.5 p -140.33 113.71 8.56 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.069 -1.019 . . . . 0.0 110.246 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 670' ' ' TYR . . . . . 0.559 ' CE2' ' HA ' ' A' ' 688' ' ' GLU . 69.8 m-85 -79.9 73.92 6.66 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.139 -0.975 . . . . 0.0 110.039 179.831 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 670' ' ' TYR . 0.1 OUTLIER 39.17 90.81 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.55 -0.719 . . . . 0.0 110.826 179.948 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . 85.24 -16.02 41.29 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.937 -1.265 . . . . 0.0 109.937 179.422 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 673' ' ' LYS . . . . . 0.517 ' CB ' ' HB2' ' A' ' 670' ' ' TYR . 0.9 OUTLIER -102.04 136.46 41.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.111 -1.229 . . . . 0.0 110.494 -179.773 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 674' ' ' THR . . . . . . . . . . . . . 11.8 m -99.76 116.06 30.96 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.428 -0.795 . . . . 0.0 109.671 179.454 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 675' ' ' TYR . . . . . 0.583 ' CE2' ' HB3' ' A' ' 698' ' ' LEU . 25.3 m-85 -130.33 159.21 37.65 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.075 -1.015 . . . . 0.0 110.833 -179.532 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 697' ' ' GLN . 8.9 ptmt -140.37 138.82 35.12 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.38 -0.825 . . . . 0.0 109.978 179.929 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 665' ' ' GLY . 1.8 t -89.5 137.87 31.95 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.318 -0.864 . . . . 0.0 110.213 -179.843 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.428 ' C ' ' HG3' ' A' ' 679' ' ' GLN . 0.1 OUTLIER -107.37 -13.3 15.14 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.263 -0.898 . . . . 0.0 110.155 179.899 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 679' ' ' GLN . . . . . 0.471 ' HB3' ' NE2' ' A' ' 681' ' ' HIS . 37.3 mt-30 -142.21 141.26 20.85 Favored Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.289 -0.882 . . . . 0.0 109.872 179.794 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 680' ' ' PRO . . . . . 0.97 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.1 Cg_exo -59.8 108.93 0.52 Allowed 'Trans proline' 0 C--N 1.313 -1.337 0 O-C-N 123.547 1.288 . . . . 0.0 110.698 179.898 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 681' ' ' HIS . . . . . 0.503 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 56.2 m-70 -146.93 -172.71 4.05 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.421 -0.8 . . . . 0.0 109.95 179.766 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 682' ' ' THR . . . . . 0.482 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 82.0 m -117.46 129.01 55.56 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.11 -0.994 . . . . 0.0 110.688 -179.762 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 683' ' ' SER . . . . . 0.586 ' HB3' ' CZ2' ' A' ' 656' ' ' TRP . 43.3 m -87.15 142.1 28.16 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.357 -0.84 . . . . 0.0 109.791 179.645 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . 0.638 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.7 OUTLIER -149.02 -178.7 6.52 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.204 -0.935 . . . . 0.0 110.696 -179.798 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -63.98 70.48 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.376 -0.828 . . . . 0.0 110.062 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 686' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . -177.31 -37.3 0.06 OUTLIER Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.1 -1.6 . . . . 0.0 109.1 -179.915 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 687' ' ' TRP . . . . . 0.482 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 41.5 m0 -87.24 32.98 0.68 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.292 -1.122 . . . . 0.0 110.129 179.798 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 688' ' ' GLU . . . . . 0.606 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 2.9 mt-10 -87.62 -47.19 0.48 Allowed Pre-proline 0 N--CA 1.494 1.759 0 O-C-N 121.259 -0.901 . . . . 0.0 110.613 -179.886 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 689' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.5 Cg_endo -69.94 -4.27 13.81 Favored 'Trans proline' 0 C--N 1.315 -1.219 0 O-C-N 123.229 1.12 . . . . 0.0 109.961 179.616 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 690' ' ' SER . . . . . 0.402 ' CB ' ' CE2' ' A' ' 675' ' ' TYR . 3.5 p 60.26 47.85 8.72 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.385 -0.822 . . . . 0.0 110.005 -179.477 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 691' ' ' ASN . . . . . 0.689 ' OD1' HG13 ' A' ' 692' ' ' VAL . 7.3 p30 -79.31 1.54 24.66 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.215 -0.928 . . . . 0.0 109.951 179.924 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 692' ' ' VAL . . . . . 0.689 HG13 ' OD1' ' A' ' 691' ' ' ASN . 20.3 m -123.3 71.43 45.71 Favored Pre-proline 0 N--CA 1.49 1.546 0 O-C-N 121.362 -0.836 . . . . 0.0 109.752 179.741 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 693' ' ' PRO . . . . . 0.41 ' HD3' ' C ' ' A' ' 691' ' ' ASN . 3.3 Cg_exo -57.72 -13.83 15.58 Favored 'Trans proline' 0 C--N 1.311 -1.396 0 O-C-N 123.75 1.395 . . . . 0.0 110.857 -179.622 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -54.34 -34.13 60.43 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.158 -0.964 . . . . 0.0 109.962 179.792 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 695' ' ' LEU . . . . . 1.053 ' O ' HD22 ' A' ' 695' ' ' LEU . 0.0 OUTLIER -129.64 -7.48 4.6 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.197 -0.94 . . . . 0.0 110.532 -179.933 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 696' ' ' TRP . . . . . 1.0 ' N ' HD13 ' A' ' 695' ' ' LEU . 1.7 m95 -111.28 95.4 5.5 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.105 -0.997 . . . . 0.0 110.362 179.718 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 697' ' ' GLN . . . . . 0.465 ' O ' ' HG2' ' A' ' 676' ' ' LYS . 0.1 OUTLIER -101.98 111.47 23.76 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.24 -0.912 . . . . 0.0 109.882 179.731 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . 0.681 HD12 ' N ' ' A' ' 699' ' ' GLN . 0.9 OUTLIER -88.07 -175.77 5.19 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.023 -1.048 . . . . 0.0 110.69 -179.515 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 699' ' ' GLN . . . . . 0.681 ' N ' HD12 ' A' ' 698' ' ' LEU . 8.6 pt20 . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.45 -0.781 . . . . 0.0 110.271 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . 0.478 ' HA ' ' OG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.223 0.535 . . . . 0.0 110.364 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 656' ' ' TRP . . . . . 0.942 ' CH2' HG22 ' A' ' 658' ' ' VAL . 61.1 t90 -69.25 143.39 53.93 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.193 -0.942 . . . . 0.0 110.351 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -134.14 145.87 49.69 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.261 -0.899 . . . . 0.0 110.025 179.916 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 658' ' ' VAL . . . . . 0.942 HG22 ' CH2' ' A' ' 656' ' ' TRP . 10.9 t -77.51 145.91 9.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.178 -0.951 . . . . 0.0 110.364 -179.916 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 659' ' ' ASN . . . . . 0.419 ' CB ' ' O ' ' A' ' 658' ' ' VAL . 0.7 OUTLIER 64.18 59.03 1.09 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.163 -0.96 . . . . 0.0 110.189 -179.979 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 5.3 m -139.17 164.86 28.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.191 -0.943 . . . . 0.0 110.45 -179.902 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -108.2 120.51 42.56 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.325 -0.859 . . . . 0.0 110.144 -179.953 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 662' ' ' TYR . . . . . 0.426 ' O ' ' HA ' ' A' ' 680' ' ' PRO . 26.1 m-85 -117.86 147.51 43.01 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.206 -0.934 . . . . 0.0 110.091 179.919 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 663' ' ' THR . . . . . 0.459 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 59.3 p -99.68 171.43 7.91 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.231 -0.918 . . . . 0.0 109.942 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 664' ' ' ALA . . . . . 0.902 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -65.95 138.32 57.75 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.171 -0.956 . . . . 0.0 109.944 179.893 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 81.16 27.4 49.31 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.275 -1.53 . . . . 0.0 109.275 -179.618 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . 0.498 ' HB3' ' HB2' ' A' ' 677' ' ' CYS . 5.3 tp-100 -87.17 173.02 9.48 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.29 -1.123 . . . . 0.0 110.082 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.39 102.12 4.7 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.22 -0.925 . . . . 0.0 110.794 -179.872 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 668' ' ' VAL . . . . . 0.478 HG11 ' HH2' ' A' ' 696' ' ' TRP . 2.5 m -110.31 166.77 5.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.19 -0.944 . . . . 0.0 109.558 179.444 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 669' ' ' THR . . . . . 0.5 ' HA ' ' O ' ' A' ' 673' ' ' LYS . 0.9 OUTLIER -140.82 116.01 9.92 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.959 -1.088 . . . . 0.0 110.435 179.73 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 670' ' ' TYR . . . . . 0.612 ' CE2' ' CD2' ' A' ' 656' ' ' TRP . 71.8 m-85 -85.05 -162.83 0.74 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.293 -0.879 . . . . 0.0 109.976 179.782 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -46.73 94.74 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.208 -0.932 . . . . 0.0 109.823 179.709 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 672' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 670' ' ' TYR . . . 51.67 33.23 33.87 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.062 -1.615 . . . . 0.0 109.062 -179.578 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 673' ' ' LYS . . . . . 0.5 ' O ' ' HA ' ' A' ' 669' ' ' THR . 0.1 OUTLIER -121.69 144.16 48.94 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.423 -1.046 . . . . 0.0 110.405 -179.733 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 674' ' ' THR . . . . . 0.435 ' HA ' HG22 ' A' ' 669' ' ' THR . 33.1 m -106.31 121.02 43.37 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.425 -0.797 . . . . 0.0 109.457 179.401 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 675' ' ' TYR . . . . . 0.609 ' CE2' ' HB3' ' A' ' 698' ' ' LEU . 22.0 m-85 -131.38 158.98 39.32 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.1 -1.0 . . . . 0.0 111.015 -179.248 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -140.17 138.27 35.05 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.551 -0.718 . . . . 0.0 109.458 179.291 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . 0.521 ' O ' ' N ' ' A' ' 665' ' ' GLY . 0.1 OUTLIER -90.35 140.11 30.02 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.211 -0.931 . . . . 0.0 110.239 -179.883 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.97 -9.48 17.06 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.34 -0.85 . . . . 0.0 109.988 179.881 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 679' ' ' GLN . . . . . 0.58 ' HB2' ' CD2' ' A' ' 681' ' ' HIS . 35.9 mt-30 -144.74 144.03 23.18 Favored Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 121.294 -0.879 . . . . 0.0 110.3 179.872 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 680' ' ' PRO . . . . . 0.902 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.2 Cg_exo -58.51 94.66 0.07 OUTLIER 'Trans proline' 0 C--N 1.312 -1.344 0 O-C-N 123.57 1.3 . . . . 0.0 110.417 179.568 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 681' ' ' HIS . . . . . 0.58 ' CD2' ' HB2' ' A' ' 679' ' ' GLN . 22.3 m-70 -133.03 163.57 28.93 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.357 -0.839 . . . . 0.0 110.116 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 9.6 m -102.33 126.8 49.46 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.275 -0.89 . . . . 0.0 110.516 -179.824 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 683' ' ' SER . . . . . . . . . . . . . 60.4 p -75.31 145.31 41.9 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.379 -0.825 . . . . 0.0 110.04 179.71 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . 0.587 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.7 OUTLIER -141.7 -179.2 6.04 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.12 -0.988 . . . . 0.0 110.647 -179.964 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -69.01 76.15 0.32 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.378 -0.826 . . . . 0.0 109.835 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 686' ' ' GLY . . . . . . . . . . . . . . . 170.27 -25.1 0.1 OUTLIER Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.839 -1.305 . . . . 0.0 109.839 -179.869 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 687' ' ' TRP . . . . . 0.424 ' CD1' HD21 ' A' ' 684' ' ' LEU . 32.3 m0 -86.92 36.46 0.72 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.009 -1.289 . . . . 0.0 110.21 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 688' ' ' GLU . . . . . 0.588 ' HA ' ' CE2' ' A' ' 670' ' ' TYR . 2.0 mt-10 -89.54 -48.3 0.4 Allowed Pre-proline 0 N--CA 1.496 1.859 0 O-C-N 121.25 -0.906 . . . . 0.0 110.693 -179.836 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 689' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.6 Cg_endo -70.28 -4.07 13.64 Favored 'Trans proline' 0 C--N 1.315 -1.2 0 O-C-N 123.253 1.133 . . . . 0.0 110.138 179.87 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 690' ' ' SER . . . . . 0.441 ' O ' ' OG ' ' A' ' 690' ' ' SER . 3.5 p 59.01 52.38 6.38 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.326 -0.859 . . . . 0.0 109.796 -179.281 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 691' ' ' ASN . . . . . 0.639 ' OD1' HG13 ' A' ' 692' ' ' VAL . 10.3 p30 -79.7 9.22 5.34 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.265 -0.897 . . . . 0.0 110.529 -179.716 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 692' ' ' VAL . . . . . 0.639 HG13 ' OD1' ' A' ' 691' ' ' ASN . 9.9 m -131.76 78.71 69.84 Favored Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.263 -0.898 . . . . 0.0 109.887 179.657 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.16 -18.04 55.96 Favored 'Trans proline' 0 C--N 1.313 -1.337 0 O-C-N 123.768 1.404 . . . . 0.0 110.879 -179.771 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -57.82 -33.66 68.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.19 -0.944 . . . . 0.0 110.166 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 695' ' ' LEU . . . . . 1.057 HD13 ' N ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -129.76 -10.67 4.42 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.247 -0.908 . . . . 0.0 110.751 -179.645 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 696' ' ' TRP . . . . . 1.057 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.5 OUTLIER -115.51 96.7 5.76 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.246 -0.909 . . . . 0.0 110.51 -179.759 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -101.48 164.03 11.97 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.371 -0.831 . . . . 0.0 109.515 179.37 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . 0.761 HD12 ' N ' ' A' ' 699' ' ' GLN . 0.8 OUTLIER -154.73 -176.09 5.74 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.924 -1.11 . . . . 0.0 110.58 -179.94 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 699' ' ' GLN . . . . . 0.761 ' N ' HD12 ' A' ' 698' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.612 0 O-C-N 121.296 -0.877 . . . . 0.0 110.207 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . 0.96 ' N ' ' HG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.076 0.465 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 656' ' ' TRP . . . . . 0.704 ' CD2' ' CE2' ' A' ' 670' ' ' TYR . 80.8 t90 -66.22 125.94 27.16 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.199 -0.938 . . . . 0.0 110.107 179.667 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -117.37 122.91 45.15 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.247 -0.908 . . . . 0.0 110.377 -179.833 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 658' ' ' VAL . . . . . 0.663 HG12 ' CZ3' ' A' ' 656' ' ' TRP . 5.4 m -55.48 143.66 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.154 -0.966 . . . . 0.0 110.061 179.822 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 659' ' ' ASN . . . . . 0.516 ' CB ' ' O ' ' A' ' 658' ' ' VAL . 1.2 t30 70.28 51.93 0.37 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.308 -0.87 . . . . 0.0 109.762 -179.748 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 86.7 m -138.93 137.71 36.69 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.324 -0.86 . . . . 0.0 110.301 -179.846 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -81.26 133.12 35.39 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.251 -0.906 . . . . 0.0 109.914 179.796 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 662' ' ' TYR . . . . . 0.47 ' CD2' ' HB3' ' A' ' 683' ' ' SER . 24.3 m-85 -120.33 150.53 40.59 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.17 -0.956 . . . . 0.0 110.413 -179.843 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 663' ' ' THR . . . . . 0.444 ' O ' ' HB2' ' A' ' 666' ' ' GLN . 0.1 OUTLIER -103.05 164.43 11.62 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.309 -0.869 . . . . 0.0 109.801 179.744 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 664' ' ' ALA . . . . . 0.942 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -64.68 124.02 20.84 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.173 -0.955 . . . . 0.0 110.433 -179.813 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 92.48 26.05 19.1 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 179.893 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . 0.533 ' CB ' ' HB3' ' A' ' 677' ' ' CYS . 0.5 OUTLIER -90.72 176.34 6.69 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.218 -1.166 . . . . 0.0 110.206 179.952 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -134.27 132.77 40.03 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.167 -0.958 . . . . 0.0 110.475 -179.863 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 668' ' ' VAL . . . . . 0.597 HG11 ' HH2' ' A' ' 696' ' ' TRP . 3.0 m -137.37 158.96 35.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.329 -0.857 . . . . 0.0 109.791 179.77 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 669' ' ' THR . . . . . 0.96 ' HG1' ' N ' ' A' ' 655' ' ' ALA . 11.5 p -140.47 124.93 17.83 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.076 -1.015 . . . . 0.0 110.343 179.918 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 670' ' ' TYR . . . . . 0.704 ' CE2' ' CD2' ' A' ' 656' ' ' TRP . 85.5 m-85 -87.98 -173.41 4.25 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.188 -0.945 . . . . 0.0 110.661 -179.697 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . 0.475 ' C ' ' O ' ' A' ' 670' ' ' TYR . 57.8 m-80 -32.69 -44.77 0.11 Allowed 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.813 -0.554 . . . . 0.0 111.229 -179.333 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 672' ' ' GLY . . . . . 0.408 ' O ' ' HG2' ' A' ' 673' ' ' LYS . . . -154.82 41.99 0.6 Allowed Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.095 -1.602 . . . . 0.0 109.095 179.847 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 673' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 672' ' ' GLY . 36.9 mttt -140.1 167.44 22.11 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.327 -1.102 . . . . 0.0 110.458 -179.598 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 674' ' ' THR . . . . . 0.692 ' O ' HD12 ' A' ' 698' ' ' LEU . 41.1 m -139.75 125.4 19.34 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.325 -0.859 . . . . 0.0 110.012 179.93 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 675' ' ' TYR . . . . . 0.868 ' CE2' HD13 ' A' ' 698' ' ' LEU . 94.9 m-85 -125.04 177.19 6.2 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.088 -1.007 . . . . 0.0 110.687 -179.697 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . 0.484 ' HB2' ' O ' ' A' ' 697' ' ' GLN . 4.6 mptt -140.16 104.73 4.89 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.335 -0.853 . . . . 0.0 110.278 -179.917 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . 0.533 ' HB3' ' CB ' ' A' ' 666' ' ' GLN . 37.9 t -55.34 139.72 41.98 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.165 -0.959 . . . . 0.0 109.938 179.804 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.49 HD23 ' HG2' ' A' ' 679' ' ' GLN . 1.1 tt -117.59 -19.59 9.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.306 -0.871 . . . . 0.0 110.42 -179.668 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 679' ' ' GLN . . . . . 0.49 ' HG2' HD23 ' A' ' 678' ' ' LEU . 1.9 mm100 -135.0 144.85 52.05 Favored Pre-proline 0 N--CA 1.489 1.496 0 O-C-N 121.182 -0.948 . . . . 0.0 110.35 -179.897 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 680' ' ' PRO . . . . . 0.942 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.0 Cg_exo -59.78 103.89 0.21 Allowed 'Trans proline' 0 C--N 1.312 -1.355 0 O-C-N 123.573 1.302 . . . . 0.0 110.462 179.861 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 681' ' ' HIS . . . . . 0.514 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 26.4 m-70 -147.64 170.22 17.99 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.253 -0.904 . . . . 0.0 110.12 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 682' ' ' THR . . . . . 0.434 ' O ' ' CD1' ' A' ' 684' ' ' LEU . 3.0 m -105.96 128.33 53.74 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.252 -0.905 . . . . 0.0 110.301 -179.723 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 683' ' ' SER . . . . . 0.664 ' C ' HD13 ' A' ' 684' ' ' LEU . 0.0 OUTLIER -89.77 142.86 27.29 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.272 -0.892 . . . . 0.0 109.854 179.603 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . 0.896 HD13 ' N ' ' A' ' 684' ' ' LEU . 0.0 OUTLIER -153.03 -166.88 2.57 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.195 -0.941 . . . . 0.0 110.773 -179.923 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -62.24 82.53 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.39 -0.819 . . . . 0.0 109.945 179.901 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 686' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . 164.81 -38.78 0.29 Allowed Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 -179.84 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 687' ' ' TRP . . . . . 0.402 ' CZ3' ' HB3' ' A' ' 681' ' ' HIS . 15.7 m0 -87.2 34.44 0.69 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.268 -1.137 . . . . 0.0 110.207 179.867 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 688' ' ' GLU . . . . . 0.574 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 0.8 OUTLIER -90.16 -48.86 0.37 Allowed Pre-proline 0 N--CA 1.494 1.765 0 O-C-N 121.178 -0.951 . . . . 0.0 110.814 -179.629 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 689' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.7 Cg_endo -69.25 -5.09 15.04 Favored 'Trans proline' 0 C--N 1.314 -1.282 0 O-C-N 123.127 1.067 . . . . 0.0 110.257 -179.712 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 690' ' ' SER . . . . . 0.477 ' O ' ' OG ' ' A' ' 690' ' ' SER . 1.5 p 62.45 50.21 3.77 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.362 -0.836 . . . . 0.0 109.714 -179.567 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 691' ' ' ASN . . . . . 0.676 ' OD1' HG13 ' A' ' 692' ' ' VAL . 17.0 p30 -85.19 19.39 2.24 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.309 -0.869 . . . . 0.0 110.895 -179.426 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 692' ' ' VAL . . . . . 0.676 HG13 ' OD1' ' A' ' 691' ' ' ASN . 11.0 m -137.37 78.6 38.4 Favored Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.122 -0.986 . . . . 0.0 109.925 179.657 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -60.58 -14.19 29.65 Favored 'Trans proline' 0 C--N 1.312 -1.366 0 O-C-N 123.792 1.417 . . . . 0.0 110.854 -179.635 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -63.41 -39.08 93.54 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.083 -1.011 . . . . 0.0 110.104 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 695' ' ' LEU . . . . . 1.111 HD13 ' N ' ' A' ' 696' ' ' TRP . 0.0 OUTLIER -116.33 -14.01 11.03 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.251 -0.906 . . . . 0.0 110.129 179.905 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 696' ' ' TRP . . . . . 1.111 ' N ' HD13 ' A' ' 695' ' ' LEU . 0.1 OUTLIER -104.98 112.56 25.74 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.237 -0.914 . . . . 0.0 110.275 179.802 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 697' ' ' GLN . . . . . 0.484 ' O ' ' HB2' ' A' ' 676' ' ' LYS . 19.8 tp60 -99.71 86.61 3.35 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.219 -0.926 . . . . 0.0 109.851 179.695 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . 0.868 HD13 ' CE2' ' A' ' 675' ' ' TYR . 22.4 tp -66.95 157.84 32.33 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.214 -0.929 . . . . 0.0 110.576 -179.611 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 699' ' ' GLN . . . . . 0.613 ' H ' HD12 ' A' ' 698' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.381 -0.824 . . . . 0.0 110.233 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . 0.614 ' N ' ' HG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.265 0.555 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 656' ' ' TRP . . . . . 0.667 ' CD2' ' CE2' ' A' ' 670' ' ' TYR . 91.9 t90 -87.28 147.76 25.39 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.211 -0.93 . . . . 0.0 110.202 179.854 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 657' ' ' GLN . . . . . 0.443 ' HG3' ' C ' ' A' ' 656' ' ' TRP . 37.9 mt-30 -146.53 155.8 42.78 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.31 -0.869 . . . . 0.0 110.114 179.896 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 658' ' ' VAL . . . . . 0.421 ' O ' ' CB ' ' A' ' 659' ' ' ASN . 33.2 m -77.78 152.96 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.173 -0.954 . . . . 0.0 110.113 179.961 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 659' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 658' ' ' VAL . 0.9 OUTLIER 64.47 51.37 2.02 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.168 -0.957 . . . . 0.0 109.956 -179.825 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 16.0 m -134.45 128.11 32.84 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.259 -0.9 . . . . 0.0 110.333 -179.874 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -84.18 110.68 18.71 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.31 -0.869 . . . . 0.0 109.975 179.814 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 662' ' ' TYR . . . . . 0.474 ' O ' ' HA ' ' A' ' 680' ' ' PRO . 18.2 m-85 -99.97 152.67 19.92 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.208 -0.932 . . . . 0.0 110.517 -179.762 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 663' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' A' ' 680' ' ' PRO . 21.1 p -106.71 173.45 6.32 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.366 -0.834 . . . . 0.0 109.755 179.532 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 664' ' ' ALA . . . . . 0.833 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -68.64 130.52 43.07 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.117 -0.989 . . . . 0.0 110.241 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 86.63 28.08 27.81 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.73 -1.348 . . . . 0.0 109.73 179.748 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . 0.484 ' HB3' ' HB2' ' A' ' 677' ' ' CYS . 1.3 tm0? -89.97 -174.17 4.14 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.17 -1.194 . . . . 0.0 109.978 179.845 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 667' ' ' LEU . . . . . 0.807 HD23 ' N ' ' A' ' 668' ' ' VAL . 5.0 tt -152.43 130.7 12.02 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.135 -0.978 . . . . 0.0 110.526 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 668' ' ' VAL . . . . . 0.807 ' N ' HD23 ' A' ' 667' ' ' LEU . 2.6 m -137.13 171.17 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.313 -0.867 . . . . 0.0 109.827 179.733 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 669' ' ' THR . . . . . 0.614 ' HG1' ' N ' ' A' ' 655' ' ' ALA . 40.3 p -140.32 119.2 12.56 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.147 -0.97 . . . . 0.0 110.454 179.727 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 670' ' ' TYR . . . . . 0.667 ' CE2' ' CD2' ' A' ' 656' ' ' TRP . 83.9 m-85 -89.58 94.51 9.89 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.238 -0.914 . . . . 0.0 110.205 179.838 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . 0.453 ' CB ' ' O ' ' A' ' 670' ' ' TYR . 0.5 OUTLIER 65.46 -71.59 0.08 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.242 -0.911 . . . . 0.0 110.419 179.998 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 672' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 670' ' ' TYR . . . -141.53 17.19 2.66 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.679 -1.369 . . . . 0.0 109.679 -179.882 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 673' ' ' LYS . . . . . 0.515 ' O ' ' HA ' ' A' ' 669' ' ' THR . 4.1 mmtp -109.12 149.85 28.71 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.21 -1.171 . . . . 0.0 110.241 -179.942 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 674' ' ' THR . . . . . 0.446 ' O ' ' HB2' ' A' ' 698' ' ' LEU . 98.3 m -105.78 131.83 52.64 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.355 -0.841 . . . . 0.0 110.05 179.934 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 675' ' ' TYR . . . . . 0.625 ' CE2' ' HB3' ' A' ' 698' ' ' LEU . 33.0 m-85 -136.28 158.53 44.2 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.263 -0.898 . . . . 0.0 110.606 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.93 131.39 32.97 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.438 -0.789 . . . . 0.0 110.015 179.703 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 665' ' ' GLY . 0.5 OUTLIER -79.41 142.64 35.77 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.286 -0.883 . . . . 0.0 110.029 179.965 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.465 ' HB3' ' HA ' ' A' ' 695' ' ' LEU . 3.9 tp -115.07 -16.79 11.57 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.183 -0.948 . . . . 0.0 110.41 -179.897 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 679' ' ' GLN . . . . . 0.494 ' HB3' ' NE2' ' A' ' 681' ' ' HIS . 3.0 mm-40 -141.38 142.73 27.6 Favored Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.178 -0.951 . . . . 0.0 110.354 -179.884 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 680' ' ' PRO . . . . . 0.833 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 3.2 Cg_exo -59.89 110.7 0.79 Allowed 'Trans proline' 0 C--N 1.313 -1.307 0 O-C-N 123.638 1.336 . . . . 0.0 110.916 179.746 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 681' ' ' HIS . . . . . 0.519 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 43.9 m-70 -150.62 -174.89 4.9 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.244 -0.91 . . . . 0.0 110.091 179.737 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 682' ' ' THR . . . . . 0.566 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 12.1 m -118.04 121.37 40.44 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.237 -0.914 . . . . 0.0 110.582 -179.668 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 683' ' ' SER . . . . . 0.536 ' HA ' ' CE3' ' A' ' 687' ' ' TRP . 3.4 m -83.56 147.36 27.81 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.34 -0.85 . . . . 0.0 110.059 179.756 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . 0.551 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.5 OUTLIER -154.96 -171.68 3.92 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.206 -0.934 . . . . 0.0 110.534 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -64.12 70.79 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.372 -0.83 . . . . 0.0 110.095 179.894 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 686' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . -176.09 -36.82 0.05 OUTLIER Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.131 -1.588 . . . . 0.0 109.131 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 687' ' ' TRP . . . . . 0.566 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 47.7 m0 -89.19 38.75 0.91 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.337 -1.096 . . . . 0.0 110.1 179.86 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 688' ' ' GLU . . . . . 0.581 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.7 mt-10 -89.52 -48.76 0.4 Allowed Pre-proline 0 N--CA 1.494 1.738 0 O-C-N 121.266 -0.896 . . . . 0.0 110.563 -179.768 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 689' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.5 Cg_endo -70.65 -6.35 18.84 Favored 'Trans proline' 0 C--N 1.314 -1.287 0 O-C-N 123.187 1.098 . . . . 0.0 109.843 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 690' ' ' SER . . . . . 0.479 ' CB ' ' CE2' ' A' ' 675' ' ' TYR . 1.9 p 61.58 51.5 4.01 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.393 -0.817 . . . . 0.0 109.615 -179.469 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 691' ' ' ASN . . . . . 0.633 ' OD1' HG13 ' A' ' 692' ' ' VAL . 12.3 p30 -82.64 14.82 2.9 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.285 -0.884 . . . . 0.0 110.664 -179.642 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 692' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 692' ' ' VAL . 30.6 m -136.62 80.31 38.41 Favored Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.1 -1.0 . . . . 0.0 110.135 179.762 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.86 -13.79 32.88 Favored 'Trans proline' 0 C--N 1.312 -1.36 0 O-C-N 123.734 1.387 . . . . 0.0 110.512 -179.929 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -54.65 -33.47 60.72 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.24 -0.913 . . . . 0.0 110.363 -179.896 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 695' ' ' LEU . . . . . 0.889 HD12 ' N ' ' A' ' 696' ' ' TRP . 1.2 pp -130.97 -4.14 3.99 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.29 -0.882 . . . . 0.0 110.437 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 696' ' ' TRP . . . . . 0.889 ' N ' HD12 ' A' ' 695' ' ' LEU . 1.1 m95 -113.84 97.94 6.71 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.15 -0.969 . . . . 0.0 110.619 -179.639 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -101.08 108.6 20.34 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.15 -0.969 . . . . 0.0 109.773 179.476 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . 0.686 HD12 ' N ' ' A' ' 699' ' ' GLN . 0.5 OUTLIER -102.3 -179.15 3.9 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.195 -0.941 . . . . 0.0 110.829 -179.459 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 699' ' ' GLN . . . . . 0.686 ' N ' HD12 ' A' ' 698' ' ' LEU . 1.8 pt20 . . . . . 0 N--CA 1.492 1.674 0 O-C-N 121.451 -0.781 . . . . 0.0 110.32 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . 0.517 ' HB1' ' O ' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.255 0.55 . . . . 0.0 110.278 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 656' ' ' TRP . . . . . 0.929 ' CH2' HG12 ' A' ' 658' ' ' VAL . 84.4 t90 -61.19 152.08 29.73 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.177 -0.952 . . . . 0.0 110.028 179.896 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -141.15 150.17 42.45 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.178 -0.951 . . . . 0.0 110.358 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 658' ' ' VAL . . . . . 0.929 HG12 ' CH2' ' A' ' 656' ' ' TRP . 11.6 m -86.68 158.86 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.344 -0.847 . . . . 0.0 110.101 179.908 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 659' ' ' ASN . . . . . 0.463 ' HB3' ' O ' ' A' ' 658' ' ' VAL . 52.3 t30 67.12 45.21 1.76 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.24 -0.913 . . . . 0.0 109.926 -179.853 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 660' ' ' THR . . . . . . . . . . . . . 2.9 m -140.38 164.26 30.58 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.256 -0.903 . . . . 0.0 110.491 -179.608 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . 0.442 ' HA ' ' HA ' ' A' ' 682' ' ' THR . . . -115.89 115.42 26.19 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.281 -0.887 . . . . 0.0 110.008 179.77 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 662' ' ' TYR . . . . . 0.467 ' O ' ' HA ' ' A' ' 680' ' ' PRO . 23.9 m-85 -101.07 155.08 18.19 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.128 -0.983 . . . . 0.0 110.344 -179.834 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 34.8 p -101.01 160.73 14.13 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.316 -0.865 . . . . 0.0 110.181 -179.906 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 664' ' ' ALA . . . . . 0.922 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -55.1 125.18 19.42 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.276 -0.89 . . . . 0.0 110.238 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 89.5 33.47 9.28 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.717 -1.353 . . . . 0.0 109.717 179.835 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . 0.512 ' HB2' ' HB3' ' A' ' 677' ' ' CYS . 0.0 OUTLIER -89.57 168.59 12.04 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.21 -1.17 . . . . 0.0 110.307 179.988 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 667' ' ' LEU . . . . . 0.591 HD13 ' C ' ' A' ' 667' ' ' LEU . 0.9 OUTLIER -128.05 105.08 8.14 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.248 -0.908 . . . . 0.0 110.161 -179.947 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 668' ' ' VAL . . . . . 0.482 ' CG2' ' HB2' ' A' ' 675' ' ' TYR . 2.6 m -115.33 166.24 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.183 -0.948 . . . . 0.0 110.005 179.897 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 669' ' ' THR . . . . . 0.517 ' O ' ' HB1' ' A' ' 655' ' ' ALA . 1.0 OUTLIER -140.6 121.35 14.38 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.131 -0.981 . . . . 0.0 109.984 179.539 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 670' ' ' TYR . . . . . 0.685 ' CE2' ' CD2' ' A' ' 656' ' ' TRP . 76.3 m-85 -90.96 77.89 6.07 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.054 -1.029 . . . . 0.0 110.466 -179.736 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 670' ' ' TYR . 2.3 m-20 41.31 84.46 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.382 -0.824 . . . . 0.0 110.456 179.701 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . 93.34 -24.04 27.13 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 179.753 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 673' ' ' LYS . . . . . 0.514 ' O ' ' HA ' ' A' ' 669' ' ' THR . 10.9 tptt -100.72 159.13 15.44 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.099 -1.236 . . . . 0.0 110.402 -179.708 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 674' ' ' THR . . . . . 0.508 ' O ' HD12 ' A' ' 698' ' ' LEU . 40.2 m -140.09 115.22 9.76 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.429 -0.794 . . . . 0.0 110.032 179.788 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 675' ' ' TYR . . . . . 0.637 ' CZ ' HD13 ' A' ' 698' ' ' LEU . 39.2 m-85 -110.44 169.71 8.56 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.205 -0.934 . . . . 0.0 110.587 -179.878 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . 0.528 ' HB2' ' O ' ' A' ' 697' ' ' GLN . 0.1 OUTLIER -129.98 93.34 3.48 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.432 -0.793 . . . . 0.0 110.027 -179.941 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . 0.512 ' HB3' ' HB2' ' A' ' 666' ' ' GLN . 0.1 OUTLIER -48.29 144.85 3.65 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.244 -0.91 . . . . 0.0 110.388 -179.792 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.35 -2.41 6.88 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.258 -0.901 . . . . 0.0 110.657 -179.713 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 679' ' ' GLN . . . . . 0.41 ' HA ' ' HD3' ' A' ' 680' ' ' PRO . 44.2 mt-30 -145.73 139.97 15.28 Favored Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.113 -0.992 . . . . 0.0 110.494 -179.816 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 680' ' ' PRO . . . . . 0.922 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 2.7 Cg_endo -64.87 93.54 0.21 Allowed 'Trans proline' 0 C--N 1.315 -1.211 0 O-C-N 123.509 1.268 . . . . 0.0 110.375 179.715 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 681' ' ' HIS . . . . . 0.468 ' ND1' ' O ' ' A' ' 680' ' ' PRO . 2.3 m-70 -136.79 -176.26 4.3 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.213 -0.93 . . . . 0.0 110.101 -179.931 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 682' ' ' THR . . . . . 0.442 ' HA ' ' HA ' ' A' ' 661' ' ' ALA . 40.4 m -116.37 126.06 52.95 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.321 -0.862 . . . . 0.0 110.25 179.939 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 683' ' ' SER . . . . . 0.44 ' HA ' ' CE3' ' A' ' 687' ' ' TRP . 2.5 m -89.62 146.26 24.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.289 -0.882 . . . . 0.0 110.049 179.819 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . 0.542 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.5 OUTLIER -145.21 -171.16 3.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.324 -0.86 . . . . 0.0 110.346 -179.839 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -65.08 67.05 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.35 -0.844 . . . . 0.0 110.116 179.87 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 686' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . -174.92 -33.46 0.04 OUTLIER Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 -179.889 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 687' ' ' TRP . . . . . 0.44 ' CE3' ' HA ' ' A' ' 683' ' ' SER . 43.9 m0 -86.93 34.14 0.67 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.122 -1.222 . . . . 0.0 110.398 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 688' ' ' GLU . . . . . 0.609 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.2 mt-10 -87.22 -47.11 0.5 Allowed Pre-proline 0 N--CA 1.494 1.756 0 O-C-N 121.202 -0.936 . . . . 0.0 110.593 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 689' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.7 Cg_endo -69.08 -5.53 16.01 Favored 'Trans proline' 0 C--N 1.314 -1.26 0 O-C-N 123.235 1.123 . . . . 0.0 110.145 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 690' ' ' SER . . . . . 0.474 ' O ' ' OG ' ' A' ' 690' ' ' SER . 1.5 p 64.55 51.66 1.92 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.381 -0.825 . . . . 0.0 109.655 -179.502 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 691' ' ' ASN . . . . . 0.871 ' OD1' HG13 ' A' ' 692' ' ' VAL . 16.6 p30 -79.88 6.44 11.13 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.236 -0.915 . . . . 0.0 110.717 -179.542 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 692' ' ' VAL . . . . . 0.871 HG13 ' OD1' ' A' ' 691' ' ' ASN . 16.7 m -132.03 76.91 72.66 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.144 -0.973 . . . . 0.0 110.076 179.639 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -60.36 -24.48 77.74 Favored 'Trans proline' 0 C--N 1.311 -1.404 0 O-C-N 123.738 1.388 . . . . 0.0 110.529 -179.905 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -47.7 -30.44 3.82 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.174 -0.954 . . . . 0.0 109.743 179.746 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 695' ' ' LEU . . . . . 0.767 ' C ' HD12 ' A' ' 695' ' ' LEU . 3.4 pp -127.04 -5.5 6.17 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.35 -0.844 . . . . 0.0 110.013 179.557 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 696' ' ' TRP . . . . . 0.738 ' N ' HD12 ' A' ' 695' ' ' LEU . 0.5 OUTLIER -106.97 105.41 15.43 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.143 -0.973 . . . . 0.0 110.002 179.842 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 697' ' ' GLN . . . . . 0.528 ' O ' ' HB2' ' A' ' 676' ' ' LYS . 3.9 tt0 -99.34 82.69 2.72 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.107 -0.996 . . . . 0.0 109.657 179.731 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . 0.637 HD13 ' CZ ' ' A' ' 675' ' ' TYR . 40.8 tp -63.1 158.39 19.82 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.039 -1.038 . . . . 0.0 110.54 -179.484 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 699' ' ' GLN . . . . . 0.561 ' H ' HD12 ' A' ' 698' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.291 -0.88 . . . . 0.0 110.214 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . 0.921 ' N ' ' HG1' ' A' ' 669' ' ' THR . . . . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 121.249 0.547 . . . . 0.0 110.131 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 656' ' ' TRP . . . . . 0.647 ' CD1' ' CZ ' ' A' ' 670' ' ' TYR . 52.0 t90 -63.34 144.19 57.17 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.275 -0.891 . . . . 0.0 110.095 179.834 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -139.1 128.43 24.18 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.309 -0.87 . . . . 0.0 110.363 -179.88 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 658' ' ' VAL . . . . . 0.643 HG13 ' CH2' ' A' ' 656' ' ' TRP . 6.6 m -61.97 158.27 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.306 -0.871 . . . . 0.0 110.232 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 659' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 53.66 52.82 12.46 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.268 -0.895 . . . . 0.0 109.726 -179.747 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 660' ' ' THR . . . . . 0.422 ' O ' ' HA ' ' A' ' 682' ' ' THR . 22.1 m -136.57 155.21 50.24 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.353 -0.842 . . . . 0.0 110.453 -179.68 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -103.63 114.63 29.05 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.233 -0.917 . . . . 0.0 110.109 179.893 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 662' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -105.85 155.83 18.94 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.299 -0.876 . . . . 0.0 110.04 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 12.7 p -99.8 177.58 5.08 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.18 -0.95 . . . . 0.0 110.102 179.929 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 664' ' ' ALA . . . . . 0.841 ' HB2' ' HD3' ' A' ' 680' ' ' PRO . . . -73.75 129.68 38.43 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.343 -0.848 . . . . 0.0 110.246 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 677' ' ' CYS . . . 79.57 32.93 36.12 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.714 -1.354 . . . . 0.0 109.714 179.696 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . 0.429 ' HB3' ' HB3' ' A' ' 677' ' ' CYS . 5.4 tp-100 -89.98 160.71 16.24 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.309 -1.112 . . . . 0.0 110.146 179.769 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 667' ' ' LEU . . . . . 0.758 HD13 ' C ' ' A' ' 667' ' ' LEU . 3.4 tm? -114.11 112.16 22.76 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.164 -0.96 . . . . 0.0 110.229 -179.962 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 668' ' ' VAL . . . . . . . . . . . . . 2.3 m -125.65 166.08 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.228 -0.92 . . . . 0.0 109.843 179.69 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 669' ' ' THR . . . . . 0.921 ' HG1' ' N ' ' A' ' 655' ' ' ALA . 2.6 p -139.91 123.94 17.66 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.191 -0.943 . . . . 0.0 110.166 179.863 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 670' ' ' TYR . . . . . 0.647 ' CZ ' ' CD1' ' A' ' 656' ' ' TRP . 14.5 m-85 -88.54 80.52 7.34 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.179 -0.951 . . . . 0.0 110.009 179.924 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 671' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 44.22 81.53 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.304 -0.873 . . . . 0.0 110.952 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . 84.14 -10.19 61.54 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 110.329 -1.109 . . . . 0.0 110.329 179.264 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 673' ' ' LYS . . . . . 0.553 ' HB2' ' HB2' ' A' ' 670' ' ' TYR . 5.5 mmtt -99.66 146.04 26.93 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.096 -1.238 . . . . 0.0 110.215 -179.832 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 674' ' ' THR . . . . . 0.472 ' HB ' ' HG3' ' A' ' 699' ' ' GLN . 0.4 OUTLIER -108.54 128.81 55.14 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.33 -0.856 . . . . 0.0 109.991 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 675' ' ' TYR . . . . . 0.616 ' CE1' ' HB3' ' A' ' 698' ' ' LEU . 21.0 m-85 -138.8 154.83 48.51 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.219 -0.926 . . . . 0.0 110.871 -179.815 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . 0.43 ' HD2' ' OE1' ' A' ' 699' ' ' GLN . 0.0 OUTLIER -131.26 101.04 5.39 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.462 -0.773 . . . . 0.0 110.318 -179.655 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 665' ' ' GLY . 5.8 t -57.23 148.09 23.41 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.257 -0.902 . . . . 0.0 110.126 179.714 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.51 ' O ' ' HB1' ' A' ' 664' ' ' ALA . 0.2 OUTLIER -120.19 -21.21 7.07 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.223 -0.923 . . . . 0.0 110.671 -179.738 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 679' ' ' GLN . . . . . 0.477 ' HB2' ' CD2' ' A' ' 681' ' ' HIS . 14.7 mm100 -133.38 147.07 63.42 Favored Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.133 -0.979 . . . . 0.0 110.637 -179.687 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 680' ' ' PRO . . . . . 0.841 ' HD3' ' HB2' ' A' ' 664' ' ' ALA . 2.7 Cg_endo -62.98 100.37 0.24 Allowed 'Trans proline' 0 C--N 1.314 -1.271 0 O-C-N 123.643 1.339 . . . . 0.0 110.531 179.894 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 681' ' ' HIS . . . . . 0.477 ' CD2' ' HB2' ' A' ' 679' ' ' GLN . 48.3 m-70 -142.36 -177.14 5.12 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.164 -0.96 . . . . 0.0 110.309 179.872 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 682' ' ' THR . . . . . 0.431 ' O ' ' CZ3' ' A' ' 687' ' ' TRP . 31.7 m -114.67 123.18 48.65 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.334 -0.854 . . . . 0.0 110.185 -179.927 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 683' ' ' SER . . . . . 0.4 ' HA ' ' CE3' ' A' ' 687' ' ' TRP . 0.1 OUTLIER -77.44 147.62 35.86 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.327 -0.858 . . . . 0.0 109.779 179.729 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . 0.667 ' H ' HD23 ' A' ' 684' ' ' LEU . 0.7 OUTLIER -155.41 -176.21 5.83 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.34 -0.85 . . . . 0.0 110.601 -179.923 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 685' ' ' ALA . . . . . . . . . . . . . . . -64.92 64.67 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.559 -0.713 . . . . 0.0 110.211 -179.811 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 686' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 684' ' ' LEU . . . -169.49 -36.4 0.02 OUTLIER Glycine 0 N--CA 1.489 2.183 0 N-CA-C 109.135 -1.586 . . . . 0.0 109.135 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 687' ' ' TRP . . . . . 0.431 ' CZ3' ' O ' ' A' ' 682' ' ' THR . 44.8 m0 -87.68 37.1 0.78 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.291 -1.123 . . . . 0.0 110.059 179.742 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 688' ' ' GLU . . . . . 0.591 ' N ' ' CD ' ' A' ' 689' ' ' PRO . 1.5 mt-10 -88.42 -48.22 0.44 Allowed Pre-proline 0 N--CA 1.497 1.89 0 O-C-N 121.276 -0.89 . . . . 0.0 110.459 -179.851 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 689' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 688' ' ' GLU . 2.5 Cg_endo -70.22 -4.56 14.59 Favored 'Trans proline' 0 C--N 1.314 -1.272 0 O-C-N 123.271 1.143 . . . . 0.0 109.861 179.832 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 690' ' ' SER . . . . . 0.513 ' CB ' ' CE1' ' A' ' 675' ' ' TYR . 4.8 p 56.9 45.73 20.9 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.313 -0.867 . . . . 0.0 109.462 -179.209 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 691' ' ' ASN . . . . . 0.502 ' OD1' HG13 ' A' ' 692' ' ' VAL . 21.3 p30 -79.56 4.19 16.58 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.437 -0.79 . . . . 0.0 110.187 -179.787 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 692' ' ' VAL . . . . . 0.522 HG23 ' HD1' ' A' ' 696' ' ' TRP . 1.2 m -119.84 78.7 23.43 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.344 -0.848 . . . . 0.0 110.037 179.689 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 693' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -60.93 -16.08 42.76 Favored 'Trans proline' 0 C--N 1.311 -1.434 0 O-C-N 123.78 1.411 . . . . 0.0 110.43 -179.912 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 694' ' ' ALA . . . . . . . . . . . . . . . -56.77 -32.75 65.93 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.282 -0.886 . . . . 0.0 110.223 -179.906 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 695' ' ' LEU . . . . . 0.85 HD12 ' N ' ' A' ' 696' ' ' TRP . 1.2 pp -133.58 -2.43 3.03 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.253 -0.905 . . . . 0.0 110.731 -179.789 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 696' ' ' TRP . . . . . 0.85 ' N ' HD12 ' A' ' 695' ' ' LEU . 2.3 m95 -120.65 95.55 4.77 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.982 -1.073 . . . . 0.0 110.443 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . 39.6 tp60 -99.9 105.14 16.83 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.264 -0.898 . . . . 0.0 109.777 179.637 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 698' ' ' LEU . . . . . 0.74 HD12 ' N ' ' A' ' 699' ' ' GLN . 0.4 OUTLIER -82.68 171.45 14.0 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.176 -0.953 . . . . 0.0 110.679 -179.398 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 699' ' ' GLN . . . . . 0.74 ' N ' HD12 ' A' ' 698' ' ' LEU . 2.9 pt20 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.424 -0.797 . . . . 0.0 110.18 179.988 . . . . . . . . 1 1 . 1 stop_ save_