data_1fwq_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 1fwq _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 full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.433 -0.58 . . . . 4.17 109.433 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 38.6 tp -96.11 -27.2 15.18 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.227 -0.921 . . . . 2.15 109.474 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.572 HG21 ' CD1' ' A' ' 38' ' ' PHE . 2.0 t -93.84 114.15 29.94 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 O-C-N 121.25 -0.906 . . . . 1.75 109.472 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -58.8 -170.13 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.268 -0.895 . . . . 3.1 109.564 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 12' ' ' SER . . . -44.01 -53.63 6.11 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.342 -0.849 . . . . 2.58 109.466 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -72.21 166.79 21.68 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.292 -0.88 . . . . 3.32 109.413 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.466 ' O ' ' HA ' ' A' ' 37' ' ' LEU . . . -90.08 59.08 3.54 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.485 -1.446 . . . . 0.97 109.485 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 -135.01 137.79 43.34 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.177 -1.19 . . . . 3.67 109.532 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.579 ' HB3' ' CE2' ' A' ' 69' ' ' TRP . 10.5 p-10 -54.97 113.94 1.54 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.213 -0.929 . . . . 1.72 109.66 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -75.05 -23.68 58.15 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.186 -0.946 . . . . 3.78 109.047 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.423 ' HG2' ' OXT' ' A' ' 123' ' ' GLU . 1.2 mtpp -106.22 168.59 9.04 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.379 -0.826 . . . . 2.07 109.332 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.466 ' O ' ' HA ' ' A' ' 122' ' ' HIS . . . -90.1 131.06 36.16 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.224 -0.922 . . . . 1.24 109.652 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.524 ' CG1' HG21 ' A' ' 120' ' ' VAL . 22.0 t -79.8 125.14 38.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.313 -0.867 . . . . 1.18 109.099 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.51 ' O ' ' N ' ' A' ' 24' ' ' GLN . 11.6 mt -122.07 123.07 40.73 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.108 -0.995 . . . . 1.59 109.857 -179.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.518 ' N ' HG23 ' A' ' 30' ' ' VAL . 4.2 t -48.91 95.4 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.06 -1.025 . . . . 0.53 108.77 179.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.51 ' N ' ' O ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -59.53 -13.11 7.82 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.616 -0.677 . . . . 2.84 109.867 -179.731 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.34 -34.0 42.53 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.079 -1.013 . . . . 3.31 109.227 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.516 ' SG ' ' CB ' ' A' ' 28' ' ' SER . 31.4 p -133.27 25.43 4.18 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.252 -0.905 . . . . 0.67 109.165 179.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 23' ' ' CYS . . . 41.84 36.39 1.78 Allowed Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.589 -1.404 . . . . 0.62 109.589 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.516 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 13.7 t -90.81 167.31 12.56 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.295 -1.121 . . . . 1.49 109.916 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -90.89 97.17 11.02 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.299 -0.875 . . . . 3.53 109.116 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.518 HG23 ' N ' ' A' ' 23' ' ' CYS . 41.6 t -71.44 -76.4 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.144 -0.973 . . . . 1.3 109.793 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.581 ' CD2' ' CG2' ' A' ' 76' ' ' ILE . 13.7 mt -123.42 163.45 20.81 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.195 -0.941 . . . . 2.22 109.738 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.459 ' HB3' ' HD2' ' A' ' 33' ' ' PRO . 36.6 mt-30 -91.25 165.4 21.54 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.307 -0.871 . . . . 2.65 109.431 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.459 ' HD2' ' HB3' ' A' ' 32' ' ' GLN . 33.9 Cg_endo -75.84 89.79 1.2 Allowed 'Trans proline' 0 C--N 1.309 -1.527 0 C-N-CA 122.541 2.161 . . . . 0.68 110.268 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 126.0 5.88 6.11 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.536 -1.426 . . . . 0.52 109.536 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.2 p -117.11 34.77 4.95 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.168 -1.195 . . . . 1.33 109.576 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.514 ' HB1' ' ND2' ' A' ' 17' ' ' ASN . . . -158.81 128.6 5.73 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.216 -0.927 . . . . 1.18 109.68 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.533 ' CD2' ' O ' ' A' ' 38' ' ' PHE . 5.9 tt -79.9 164.46 23.53 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.39 -0.819 . . . . 2.37 108.796 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.572 ' CD1' HG21 ' A' ' 11' ' ' VAL . 9.2 t80 -91.83 152.75 19.97 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.132 -0.98 . . . . 2.27 109.444 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.465 ' OG ' ' HB2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -150.95 97.98 2.53 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.809 -1.182 . . . . 0.84 109.898 179.695 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.481 ' HA ' ' O ' ' A' ' 66' ' ' GLN . 7.3 ptt180 -85.83 47.62 1.47 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.165 -0.959 . . . . 4.05 109.116 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 66' ' ' GLN . 8.0 ttt180 -91.18 131.09 36.94 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.481 -0.762 . . . . 3.45 109.814 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.479 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 0.1 OUTLIER -61.92 98.72 0.1 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.382 -0.823 . . . . 2.69 109.4 179.682 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.595 ' HB2' ' CE1' ' A' ' 68' ' ' HIS . 77.6 mt -103.85 171.87 7.12 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.213 -0.929 . . . . 1.1 109.907 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.526 ' HB2' ' CD1' ' A' ' 64' ' ' LEU . 50.7 t80 -129.57 130.66 45.99 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.527 -0.733 . . . . 2.18 109.127 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.53 ' CD2' ' O ' ' A' ' 101' ' ' PRO . 4.9 mp -124.73 98.82 36.39 Favored Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.242 -0.911 . . . . 2.06 110.038 -179.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.664 ' CD ' ' CZ ' ' A' ' 91' ' ' PHE . 34.9 Cg_endo -76.74 115.93 4.15 Favored 'Trans proline' 0 C--N 1.309 -1.535 0 C-N-CA 122.616 2.211 . . . . 0.62 110.226 179.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 46' ' ' PRO . 0.7 OUTLIER -40.73 115.62 0.6 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.52 -0.737 . . . . 1.94 109.791 -179.721 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.515 ' CB ' ' O ' ' A' ' 99' ' ' ILE . 0.0 OUTLIER -70.26 -21.39 62.98 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.237 -0.914 . . . . 3.81 109.323 179.874 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.505 ' O ' ' N ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -43.56 -47.87 7.43 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.32 -0.863 . . . . 6.37 109.381 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.449 ' O ' ' O ' ' A' ' 51' ' ' LYS . 13.4 ttmt 41.75 -95.03 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.456 -0.777 . . . . 8.48 109.652 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.536 ' CB ' ' HD2' ' A' ' 52' ' ' PRO . 0.1 OUTLIER 51.74 177.24 0.02 OUTLIER Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.057 -1.027 . . . . 8.72 109.368 179.786 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.553 ' O ' ' CB ' ' A' ' 53' ' ' ALA . 34.4 Cg_endo -77.45 -81.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.47 0 C-N-CA 122.474 2.116 . . . . 8.9 110.348 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.553 ' CB ' ' O ' ' A' ' 52' ' ' PRO . . . 81.93 -38.92 0.12 Allowed 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.476 -0.765 . . . . 9.86 110.47 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.536 ' CD1' ' OG ' ' A' ' 55' ' ' SER . 3.2 tm? 67.47 110.99 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.94 -1.1 . . . . 11.5 109.173 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.536 ' OG ' ' CD1' ' A' ' 54' ' ' LEU . 5.2 m 83.6 -43.5 0.1 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.772 -0.58 . . . . 11.31 109.508 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' A' ' 56' ' ' ASP . 0.5 OUTLIER 68.46 -168.16 0.19 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.142 -0.974 . . . . 10.78 109.525 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -114.66 25.62 10.13 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.503 -1.439 . . . . 8.98 109.503 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.5 t 57.2 54.63 6.61 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.32 -1.106 . . . . 8.55 109.41 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.501 ' N ' ' HD3' ' A' ' 60' ' ' PRO . 0.2 OUTLIER -164.64 64.05 1.09 Allowed Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.26 -0.9 . . . . 7.69 109.563 -179.917 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.501 ' HD3' ' N ' ' A' ' 59' ' ' ASN . 36.2 Cg_endo -79.65 -6.96 14.61 Favored 'Trans proline' 0 C--N 1.308 -1.557 0 C-N-CA 122.697 2.264 . . . . 5.85 110.411 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.406 ' O ' ' O ' ' A' ' 62' ' ' GLY . 7.6 m-20 -81.89 128.52 34.13 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.268 -0.895 . . . . 3.68 109.664 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.485 ' HA3' ' HA ' ' A' ' 46' ' ' PRO . . . -63.53 -138.36 0.01 OUTLIER Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.263 -1.535 . . . . 0.87 109.263 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -129.57 116.41 18.86 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.175 -1.191 . . . . 1.5 109.072 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.526 ' CD1' ' HB2' ' A' ' 44' ' ' PHE . 3.6 mm? -80.97 84.1 6.53 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.452 -0.944 . . . . 2.17 108.452 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.479 ' O ' ' HA ' ' A' ' 42' ' ' GLN . 1.4 mt -85.21 -170.35 3.08 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.237 -0.915 . . . . 1.8 110.203 -178.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.501 ' O ' ' N ' ' A' ' 41' ' ' ARG . 4.6 mt-30 -147.92 -36.92 0.2 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.57 -0.706 . . . . 2.4 109.639 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.495 ' O ' ' CG ' ' A' ' 68' ' ' HIS . 10.0 mt-10 -81.89 140.64 33.97 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.293 -0.879 . . . . 2.22 109.15 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.595 ' CE1' ' HB2' ' A' ' 43' ' ' LEU . 87.2 m-70 -159.55 135.77 8.92 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.106 -0.996 . . . . 0.38 110.142 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.612 ' CD1' HD22 ' A' ' 117' ' ' LEU . 6.1 m95 -77.99 95.52 4.84 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 106.984 -1.488 . . . . 0.65 106.984 177.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.569 HD12 ' CZ ' ' A' ' 114' ' ' TYR . 55.6 tp -77.54 105.7 8.85 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.416 -0.802 . . . . 1.18 110.028 -178.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.563 ' CG1' ' CD1' ' A' ' 76' ' ' ILE . 4.8 t -96.64 159.42 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 N-CA-C 108.829 -0.804 . . . . 1.17 108.829 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -104.45 10.86 35.06 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.155 -0.966 . . . . 2.41 109.935 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.458 ' HB3' HG13 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -160.49 115.0 2.19 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.103 -0.998 . . . . 1.46 109.988 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.44 ' HG2' ' CZ ' ' A' ' 113' ' ' PHE . 0.5 OUTLIER -64.62 -29.57 70.58 Favored 'General case' 0 C--N 1.306 -1.299 0 O-C-N 121.271 -0.893 . . . . 2.37 109.383 179.695 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -56.25 -18.17 9.67 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.259 -0.901 . . . . 2.03 109.213 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.581 ' CG2' ' CD2' ' A' ' 31' ' ' LEU . 38.4 mt -62.41 -41.45 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.39 -0.819 . . . . 1.24 109.197 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.592 ' HB3' ' HB ' ' A' ' 80' ' ' VAL . 71.2 m-85 -53.64 -167.28 0.0 OUTLIER 'General case' 0 C--N 1.306 -1.3 0 O-C-N 121.208 -0.933 . . . . 2.08 109.919 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -132.98 -93.38 0.35 Allowed 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 107.787 -1.19 . . . . 2.07 107.787 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -91.17 44.69 1.2 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.139 -0.976 . . . . 2.24 108.737 178.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.592 ' HB ' ' HB3' ' A' ' 77' ' ' PHE . 0.3 OUTLIER -90.14 148.8 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.27 -0.894 . . . . 1.22 109.832 -179.199 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.524 ' CA ' ' O ' ' A' ' 93' ' ' VAL . . . -114.67 -171.86 17.23 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.43 -1.468 . . . . 0.82 109.43 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.587 ' CD1' ' HG ' ' A' ' 92' ' ' LEU . 46.8 m-85 -143.54 122.22 12.58 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.081 -1.247 . . . . 2.18 110.092 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.48 ' OG1' ' CG1' ' A' ' 93' ' ' VAL . 1.3 m -82.71 112.56 19.68 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.349 -0.844 . . . . 1.32 108.983 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' A' ' 83' ' ' THR . 0.0 OUTLIER -41.21 162.99 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.57 -0.706 . . . . 2.95 109.721 -179.829 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.474 ' HA ' ' O ' ' A' ' 89' ' ' ILE . 3.5 p-10 -56.21 116.56 3.11 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.333 -0.854 . . . . 2.61 109.739 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 14.5 t -89.0 49.21 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.193 -0.942 . . . . 1.87 109.205 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.407 ' C ' ' OD1' ' A' ' 88' ' ' ASN . . . 121.52 -56.07 0.64 Allowed Glycine 0 N--CA 1.487 2.092 0 N-CA-C 109.533 -1.427 . . . . 1.26 109.533 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.407 ' OD1' ' C ' ' A' ' 87' ' ' GLY . 0.7 OUTLIER -155.26 15.46 0.4 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.088 -1.242 . . . . 3.33 110.471 -179.661 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.474 ' O ' ' HA ' ' A' ' 85' ' ' ASP . 18.9 mt -149.07 127.46 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 120.751 -1.218 . . . . 2.48 110.796 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.487 ' O ' ' HB3' ' A' ' 105' ' ' HIS . 2.6 mmmt -81.28 102.65 10.53 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 106.747 -1.575 . . . . 2.67 106.747 176.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.664 ' CZ ' ' CD ' ' A' ' 46' ' ' PRO . 52.3 m-85 -79.27 -178.57 6.28 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.928 -1.107 . . . . 2.21 109.366 -178.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.587 ' HG ' ' CD1' ' A' ' 82' ' ' PHE . 6.8 mp -127.49 139.47 52.78 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.229 -0.919 . . . . 1.59 109.096 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.524 ' O ' ' CA ' ' A' ' 81' ' ' GLY . 3.3 m -138.99 120.32 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.404 -0.81 . . . . 1.24 109.937 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.476 ' HB3' ' SG ' ' A' ' 97' ' ' CYS . 50.8 t -45.43 129.85 8.44 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.365 -0.835 . . . . 0.56 109.441 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.73 -20.1 66.15 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.324 -0.86 . . . . 1.21 110.108 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.4 -16.34 56.36 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.086 -1.009 . . . . 1.34 109.485 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.476 ' SG ' ' HB3' ' A' ' 94' ' ' CYS . 1.6 p -153.84 57.35 0.73 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.345 -0.847 . . . . 0.8 108.897 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 97' ' ' CYS . 19.8 mt-10 -37.24 97.83 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 CA-C-O 121.405 0.621 . . . . 3.34 110.197 -179.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.515 ' O ' ' CB ' ' A' ' 48' ' ' MET . 14.1 mt -150.22 -69.1 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.462 -0.774 . . . . 2.71 108.914 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.467 ' HA2' ' CG1' ' A' ' 102' ' ' ILE . . . 41.24 -151.54 0.15 Allowed Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.896 -1.282 . . . . 0.97 109.896 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.53 ' O ' ' CD2' ' A' ' 45' ' ' LEU . 32.8 Cg_endo -74.56 107.53 0.91 Allowed 'Cis proline' 0 C--N 1.31 -1.462 0 C-N-CA 123.224 -1.573 . . . . 0.67 110.413 0.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.487 HD13 HG22 ' A' ' 102' ' ' ILE . 5.5 mt -83.94 -32.02 8.34 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.319 -0.863 . . . . 2.04 109.789 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.547 ' HA3' ' HB2' ' A' ' 92' ' ' LEU . . . -112.69 166.07 12.12 Favored Glycine 0 N--CA 1.492 2.425 0 C-N-CA 119.272 -1.442 . . . . 0.39 110.143 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.576 ' CE3' HD23 ' A' ' 43' ' ' LEU . 12.3 t90 -123.62 130.38 52.57 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.65 -0.912 . . . . 0.86 109.13 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.626 ' NE2' ' CE1' ' A' ' 113' ' ' PHE . 2.0 t-80 -145.57 87.76 1.81 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.875 -1.141 . . . . 1.3 109.72 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . 0.539 ' HB3' ' CH2' ' A' ' 104' ' ' TRP . 31.9 p -70.94 172.8 8.36 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.24 -0.912 . . . . 2.52 109.451 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.3 mt -89.96 -11.72 40.85 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.212 -0.93 . . . . 2.71 109.539 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.86 -34.36 77.77 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.202 -0.936 . . . . 2.23 109.573 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.523 ' HB3' ' CB ' ' A' ' 112' ' ' SER . 0.2 OUTLIER -126.86 101.98 6.83 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.206 -0.934 . . . . 2.21 109.496 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.11 -4.84 18.88 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.306 -0.871 . . . . 3.78 110.14 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -120.54 2.25 10.69 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.034 -1.041 . . . . 1.89 110.027 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.523 ' CB ' ' HB3' ' A' ' 109' ' ' ASP . 63.5 m -91.24 87.07 6.36 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.034 -1.041 . . . . 0.97 109.503 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.626 ' CE1' ' NE2' ' A' ' 105' ' ' HIS . 78.4 m-85 -86.74 136.93 32.82 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.226 -0.921 . . . . 2.19 108.808 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.569 ' CZ ' HD12 ' A' ' 70' ' ' LEU . 73.0 m-85 -124.07 142.12 51.46 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.904 -1.123 . . . . 2.13 110.423 -179.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.49 ' O ' ' C ' ' A' ' 116' ' ' ALA . 0.7 OUTLIER -124.77 88.88 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 N-CA-C 107.963 -1.125 . . . . 1.13 107.963 178.196 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.49 ' C ' ' O ' ' A' ' 115' ' ' VAL . . . -33.49 112.6 0.13 Allowed 'General case' 0 N--CA 1.498 1.929 0 CA-C-O 121.704 0.764 . . . . 1.09 110.608 -178.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.612 HD22 ' CD1' ' A' ' 69' ' ' TRP . 0.1 OUTLIER -51.53 -74.66 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 121.401 0.62 . . . . 2.09 110.305 -179.676 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -53.54 -15.07 0.97 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.421 -0.8 . . . . 2.44 111.34 -178.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.487 ' CD ' HD23 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -90.79 21.61 4.01 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.763 -1.211 . . . . 2.72 109.626 -179.548 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.542 HG22 ' CE1' ' A' ' 122' ' ' HIS . 30.1 m -153.85 167.97 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.279 -0.888 . . . . 1.25 109.771 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.584 ' O ' ' CD2' ' A' ' 122' ' ' HIS . 40.7 t -92.81 168.52 11.13 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.368 -0.833 . . . . 1.33 109.233 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.584 ' CD2' ' O ' ' A' ' 121' ' ' SER . 39.0 m80 -155.56 114.47 3.54 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.167 -0.958 . . . . 0.78 109.511 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.423 ' OXT' ' HG2' ' A' ' 19' ' ' LYS . 4.5 mt-10 . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 118.005 -0.997 . . . . 2.65 109.495 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.433 -0.58 . . . . 4.17 109.433 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.572 HD23 HD13 ' A' ' 117' ' ' LEU . 38.6 tp -96.11 -27.2 15.18 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.227 -0.921 . . . . 1.56 109.474 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.921 HG22 ' CH2' ' A' ' 69' ' ' TRP . 2.0 t -93.84 114.15 29.94 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 O-C-N 121.25 -0.906 . . . . 1.45 109.472 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -58.8 -170.13 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.268 -0.895 . . . . 2.85 109.564 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 12' ' ' SER . . . -44.01 -53.63 6.11 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.342 -0.849 . . . . 2.2 109.466 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.446 ' O ' HG12 ' A' ' 11' ' ' VAL . 72.8 mt-10 -72.21 166.79 21.68 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.292 -0.88 . . . . 3.32 109.413 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.477 ' O ' ' HA ' ' A' ' 37' ' ' LEU . . . -90.08 59.08 3.54 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.485 -1.446 . . . . 0.85 109.485 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 36' ' ' ALA . 2.5 mtm180 -135.01 137.79 43.34 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.177 -1.19 . . . . 3.1 109.532 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.597 ' HB3' ' CE2' ' A' ' 69' ' ' TRP . 10.5 p-10 -54.97 113.94 1.54 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.213 -0.929 . . . . 1.18 109.66 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -75.05 -23.68 58.15 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.186 -0.946 . . . . 3.2 109.047 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.495 ' HD3' HD11 ' A' ' 10' ' ' LEU . 1.2 mtpp -106.22 168.59 9.04 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.379 -0.826 . . . . 1.56 109.332 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.476 ' O ' ' HA ' ' A' ' 122' ' ' HIS . . . -90.1 131.06 36.16 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.224 -0.922 . . . . 0.56 109.652 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.769 HG22 ' CD2' ' A' ' 122' ' ' HIS . 22.0 t -79.8 125.14 38.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.313 -0.867 . . . . 0.5 109.099 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.541 HD23 ' O ' ' A' ' 21' ' ' VAL . 11.6 mt -122.07 123.07 40.73 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.108 -0.995 . . . . 0.92 109.857 -179.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.756 ' N ' HG23 ' A' ' 30' ' ' VAL . 4.2 t -48.91 95.4 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.06 -1.025 . . . . 0.42 108.77 179.375 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.51 ' N ' ' O ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -59.53 -13.11 7.82 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.616 -0.677 . . . . 2.36 109.867 -179.731 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.34 -34.0 42.53 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.079 -1.013 . . . . 2.73 109.227 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.516 ' SG ' ' CB ' ' A' ' 28' ' ' SER . 31.4 p -133.27 25.43 4.18 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.252 -0.905 . . . . 0.57 109.165 179.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 23' ' ' CYS . . . 41.84 36.39 1.78 Allowed Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.589 -1.404 . . . . 0.53 109.589 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.516 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 13.7 t -90.81 167.31 12.56 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.295 -1.121 . . . . 1.06 109.916 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -90.89 97.17 11.02 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.299 -0.875 . . . . 2.97 109.116 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.756 HG23 ' N ' ' A' ' 23' ' ' CYS . 41.6 t -71.44 -76.4 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.144 -0.973 . . . . 0.72 109.793 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.794 HD23 HG22 ' A' ' 76' ' ' ILE . 13.7 mt -123.42 163.45 20.81 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.195 -0.941 . . . . 1.58 109.738 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.451 ' HB3' ' HD2' ' A' ' 33' ' ' PRO . 36.6 mt-30 -91.25 165.4 21.54 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.307 -0.871 . . . . 2.15 109.431 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.451 ' HD2' ' HB3' ' A' ' 32' ' ' GLN . 33.9 Cg_endo -75.84 89.79 1.2 Allowed 'Trans proline' 0 C--N 1.309 -1.527 0 C-N-CA 122.541 2.161 . . . . 0.58 110.268 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 126.0 5.88 6.11 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.536 -1.426 . . . . 0.49 109.536 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.2 p -117.11 34.77 4.95 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.168 -1.195 . . . . 0.67 109.576 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.7 ' HB1' ' HB3' ' A' ' 69' ' ' TRP . . . -158.81 128.6 5.73 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.216 -0.927 . . . . 0.46 109.68 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.854 HD23 ' N ' ' A' ' 38' ' ' PHE . 5.9 tt -79.9 164.46 23.53 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.39 -0.819 . . . . 1.84 108.796 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.854 ' N ' HD23 ' A' ' 37' ' ' LEU . 9.2 t80 -91.83 152.75 19.97 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.132 -0.98 . . . . 1.36 109.444 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.474 ' OG ' ' HB2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -150.95 97.98 2.53 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.809 -1.182 . . . . 0.57 109.898 179.695 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.481 ' HA ' ' O ' ' A' ' 66' ' ' GLN . 7.3 ptt180 -85.83 47.62 1.47 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.165 -0.959 . . . . 3.46 109.116 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 66' ' ' GLN . 8.0 ttt180 -91.18 131.09 36.94 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.481 -0.762 . . . . 2.86 109.814 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.489 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 0.1 OUTLIER -61.92 98.72 0.1 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.382 -0.823 . . . . 2.31 109.4 179.682 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.929 HD22 ' CD2' ' A' ' 104' ' ' TRP . 77.6 mt -103.85 171.87 7.12 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.213 -0.929 . . . . 0.37 109.907 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.799 ' O ' HD12 ' A' ' 45' ' ' LEU . 50.7 t80 -129.57 130.66 45.99 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.527 -0.733 . . . . 1.32 109.127 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.799 HD12 ' O ' ' A' ' 44' ' ' PHE . 4.9 mp -124.73 98.82 36.39 Favored Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.242 -0.911 . . . . 1.43 110.038 -179.47 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.664 ' CD ' ' CZ ' ' A' ' 91' ' ' PHE . 34.9 Cg_endo -76.74 115.93 4.15 Favored 'Trans proline' 0 C--N 1.309 -1.535 0 C-N-CA 122.616 2.211 . . . . 0.57 110.226 179.59 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 46' ' ' PRO . 0.7 OUTLIER -40.73 115.62 0.6 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.52 -0.737 . . . . 1.58 109.791 -179.721 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.515 ' CB ' ' O ' ' A' ' 99' ' ' ILE . 0.0 OUTLIER -70.26 -21.39 62.98 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.237 -0.914 . . . . 3.43 109.323 179.874 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.505 ' O ' ' N ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -43.56 -47.87 7.43 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.32 -0.863 . . . . 5.62 109.381 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.449 ' O ' ' O ' ' A' ' 51' ' ' LYS . 13.4 ttmt 41.75 -95.03 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.456 -0.777 . . . . 8.06 109.652 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.561 ' CG ' ' HD2' ' A' ' 52' ' ' PRO . 0.1 OUTLIER 51.74 177.24 0.02 OUTLIER Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.057 -1.027 . . . . 8.49 109.368 179.786 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.73 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 34.4 Cg_endo -77.45 -81.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.47 0 C-N-CA 122.474 2.116 . . . . 8.55 110.348 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.73 ' HB3' ' O ' ' A' ' 52' ' ' PRO . . . 81.93 -38.92 0.12 Allowed 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.476 -0.765 . . . . 9.6 110.47 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.869 HD13 ' OG ' ' A' ' 55' ' ' SER . 3.2 tm? 67.47 110.99 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.94 -1.1 . . . . 11.21 109.173 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.869 ' OG ' HD13 ' A' ' 54' ' ' LEU . 5.2 m 83.6 -43.5 0.1 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.772 -0.58 . . . . 11.16 109.508 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' A' ' 56' ' ' ASP . 0.5 OUTLIER 68.46 -168.16 0.19 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.142 -0.974 . . . . 10.78 109.525 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -114.66 25.62 10.13 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.503 -1.439 . . . . 8.87 109.503 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.5 t 57.2 54.63 6.61 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.32 -1.106 . . . . 8.19 109.41 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.504 ' N ' ' HD3' ' A' ' 60' ' ' PRO . 7.2 t-20 -164.64 64.05 1.09 Allowed Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.26 -0.9 . . . . 7.04 109.563 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.504 ' HD3' ' N ' ' A' ' 59' ' ' ASN . 36.2 Cg_endo -79.65 -6.96 14.61 Favored 'Trans proline' 0 C--N 1.308 -1.557 0 C-N-CA 122.697 2.264 . . . . 4.92 110.411 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.406 ' O ' ' O ' ' A' ' 62' ' ' GLY . 7.6 m-20 -81.89 128.52 34.13 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.268 -0.895 . . . . 3.68 109.664 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.498 ' HA3' ' HA ' ' A' ' 46' ' ' PRO . . . -63.53 -138.36 0.01 OUTLIER Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.263 -1.535 . . . . 0.75 109.263 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -129.57 116.41 18.86 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.175 -1.191 . . . . 1.5 109.072 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.52 ' CD1' ' HB2' ' A' ' 44' ' ' PHE . 3.6 mm? -80.97 84.1 6.53 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.452 -0.944 . . . . 1.55 108.452 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.489 ' O ' ' HA ' ' A' ' 42' ' ' GLN . 1.4 mt -85.21 -170.35 3.08 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.237 -0.915 . . . . 1.21 110.203 -178.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.501 ' O ' ' N ' ' A' ' 41' ' ' ARG . 4.6 mt-30 -147.92 -36.92 0.2 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.57 -0.706 . . . . 2.23 109.639 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.495 ' O ' ' CG ' ' A' ' 68' ' ' HIS . 10.0 mt-10 -81.89 140.64 33.97 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.293 -0.879 . . . . 2.22 109.15 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.887 ' CE1' HD12 ' A' ' 43' ' ' LEU . 87.2 m-70 -159.55 135.77 8.92 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.106 -0.996 . . . . 0.35 110.142 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.921 ' CH2' HG22 ' A' ' 11' ' ' VAL . 6.1 m95 -77.99 95.52 4.84 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 106.984 -1.488 . . . . 0.55 106.984 177.511 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.067 HD12 ' O ' ' A' ' 113' ' ' PHE . 55.6 tp -77.54 105.7 8.85 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.416 -0.802 . . . . 0.5 110.028 -178.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 1.06 ' CG1' HD12 ' A' ' 76' ' ' ILE . 4.8 t -96.64 159.42 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 N-CA-C 108.829 -0.804 . . . . 0.52 108.829 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -104.45 10.86 35.06 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.155 -0.966 . . . . 2.41 109.935 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.493 ' HB3' HG13 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -160.49 115.0 2.19 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.103 -0.998 . . . . 1.46 109.988 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.436 ' HG2' ' CZ ' ' A' ' 113' ' ' PHE . 0.5 OUTLIER -64.62 -29.57 70.58 Favored 'General case' 0 C--N 1.306 -1.299 0 O-C-N 121.271 -0.893 . . . . 1.88 109.383 179.695 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -56.25 -18.17 9.67 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.259 -0.901 . . . . 1.37 109.213 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 1.06 HD12 ' CG1' ' A' ' 71' ' ' VAL . 38.4 mt -62.41 -41.45 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.39 -0.819 . . . . 0.61 109.197 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.626 ' HB3' ' HB ' ' A' ' 80' ' ' VAL . 71.2 m-85 -53.64 -167.28 0.0 OUTLIER 'General case' 0 C--N 1.306 -1.3 0 O-C-N 121.208 -0.933 . . . . 1.25 109.919 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -132.98 -93.38 0.35 Allowed 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 107.787 -1.19 . . . . 1.94 107.787 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -91.17 44.69 1.2 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.139 -0.976 . . . . 1.64 108.737 178.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.626 ' HB ' ' HB3' ' A' ' 77' ' ' PHE . 0.3 OUTLIER -90.14 148.8 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.27 -0.894 . . . . 0.63 109.832 -179.199 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.524 ' CA ' ' O ' ' A' ' 93' ' ' VAL . . . -114.67 -171.86 17.23 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.43 -1.468 . . . . 0.53 109.43 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.6 ' CD1' ' HG ' ' A' ' 92' ' ' LEU . 46.8 m-85 -143.54 122.22 12.58 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.081 -1.247 . . . . 1.3 110.092 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.493 ' HB ' ' HB2' ' A' ' 91' ' ' PHE . 1.3 m -82.71 112.56 19.68 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.349 -0.844 . . . . 0.9 108.983 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' A' ' 83' ' ' THR . 0.0 OUTLIER -41.21 162.99 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.57 -0.706 . . . . 2.56 109.721 -179.829 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.488 ' HA ' ' O ' ' A' ' 89' ' ' ILE . 3.5 p-10 -56.21 116.56 3.11 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.333 -0.854 . . . . 2.61 109.739 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 14.5 t -89.0 49.21 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.193 -0.942 . . . . 1.46 109.205 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.407 ' C ' ' OD1' ' A' ' 88' ' ' ASN . . . 121.52 -56.07 0.64 Allowed Glycine 0 N--CA 1.487 2.092 0 N-CA-C 109.533 -1.427 . . . . 1.09 109.533 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.407 ' OD1' ' C ' ' A' ' 87' ' ' GLY . 0.7 OUTLIER -155.26 15.46 0.4 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.088 -1.242 . . . . 2.67 110.471 -179.661 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.621 HD13 ' NE1' ' A' ' 104' ' ' TRP . 18.9 mt -149.07 127.46 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 120.751 -1.218 . . . . 1.97 110.796 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.504 ' O ' ' HB3' ' A' ' 105' ' ' HIS . 2.6 mmmt -81.28 102.65 10.53 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 106.747 -1.575 . . . . 2.1 106.747 176.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.664 ' CZ ' ' CD ' ' A' ' 46' ' ' PRO . 52.3 m-85 -79.27 -178.57 6.28 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.928 -1.107 . . . . 1.33 109.366 -178.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.779 HD11 ' HB2' ' A' ' 105' ' ' HIS . 6.8 mp -127.49 139.47 52.78 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.229 -0.919 . . . . 1.01 109.096 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.553 HG12 ' HA3' ' A' ' 100' ' ' GLY . 3.3 m -138.99 120.32 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.404 -0.81 . . . . 0.8 109.937 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.485 ' HB3' ' SG ' ' A' ' 97' ' ' CYS . 50.8 t -45.43 129.85 8.44 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.365 -0.835 . . . . 0.45 109.441 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.73 -20.1 66.15 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.324 -0.86 . . . . 0.57 110.108 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.4 -16.34 56.36 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.086 -1.009 . . . . 1.34 109.485 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.485 ' SG ' ' HB3' ' A' ' 94' ' ' CYS . 1.6 p -153.84 57.35 0.73 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.345 -0.847 . . . . 0.64 108.897 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 97' ' ' CYS . 19.8 mt-10 -37.24 97.83 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 CA-C-O 121.405 0.621 . . . . 3.34 110.197 -179.561 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.515 ' O ' ' CB ' ' A' ' 48' ' ' MET . 14.1 mt -150.22 -69.1 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.462 -0.774 . . . . 2.19 108.914 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.553 ' HA3' HG12 ' A' ' 93' ' ' VAL . . . 41.24 -151.54 0.15 Allowed Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.896 -1.282 . . . . 0.58 109.896 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.607 ' O ' HD23 ' A' ' 45' ' ' LEU . 32.8 Cg_endo -74.56 107.53 0.91 Allowed 'Cis proline' 0 C--N 1.31 -1.462 0 C-N-CA 123.224 -1.573 . . . . 0.67 110.413 0.532 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.56 HG23 ' O ' ' A' ' 119' ' ' ARG . 5.5 mt -83.94 -32.02 8.34 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.319 -0.863 . . . . 1.5 109.789 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.637 ' C ' HD13 ' A' ' 92' ' ' LEU . . . -112.69 166.07 12.12 Favored Glycine 0 N--CA 1.492 2.425 0 C-N-CA 119.272 -1.442 . . . . 0.36 110.143 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.929 ' CD2' HD22 ' A' ' 43' ' ' LEU . 12.3 t90 -123.62 130.38 52.57 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.65 -0.912 . . . . 0.7 109.13 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.779 ' HB2' HD11 ' A' ' 92' ' ' LEU . 2.0 t-80 -145.57 87.76 1.81 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.875 -1.141 . . . . 1.3 109.72 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' CYS . . . . . 0.545 ' HB3' ' CH2' ' A' ' 104' ' ' TRP . 31.9 p -70.94 172.8 8.36 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.24 -0.912 . . . . 2.07 109.451 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.3 mt -89.96 -11.72 40.85 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.212 -0.93 . . . . 2.18 109.539 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.86 -34.36 77.77 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.202 -0.936 . . . . 2.23 109.573 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.545 ' HB3' ' CB ' ' A' ' 112' ' ' SER . 0.2 OUTLIER -126.86 101.98 6.83 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.206 -0.934 . . . . 2.21 109.496 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.11 -4.84 18.88 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.306 -0.871 . . . . 3.34 110.14 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -120.54 2.25 10.69 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.034 -1.041 . . . . 1.34 110.027 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.545 ' CB ' ' HB3' ' A' ' 109' ' ' ASP . 63.5 m -91.24 87.07 6.36 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.034 -1.041 . . . . 0.57 109.503 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 1.067 ' O ' HD12 ' A' ' 70' ' ' LEU . 78.4 m-85 -86.74 136.93 32.82 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.226 -0.921 . . . . 1.39 108.808 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.914 ' CE1' HD13 ' A' ' 70' ' ' LEU . 73.0 m-85 -124.07 142.12 51.46 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.904 -1.123 . . . . 1.26 110.423 -179.227 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 69' ' ' TRP . 0.7 OUTLIER -124.77 88.88 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 N-CA-C 107.963 -1.125 . . . . 0.32 107.963 178.196 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.497 ' HB3' ' HB3' ' A' ' 119' ' ' ARG . . . -33.49 112.6 0.13 Allowed 'General case' 0 N--CA 1.498 1.929 0 CA-C-O 121.704 0.764 . . . . 0.38 110.608 -178.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.688 ' O ' HG22 ' A' ' 120' ' ' VAL . 0.1 OUTLIER -51.53 -74.66 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 121.401 0.62 . . . . 1.47 110.305 -179.676 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -53.54 -15.07 0.97 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.421 -0.8 . . . . 2.44 111.34 -178.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.56 ' O ' HG23 ' A' ' 102' ' ' ILE . 0.0 OUTLIER -90.79 21.61 4.01 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.763 -1.211 . . . . 2.21 109.626 -179.548 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.809 HG23 ' CE1' ' A' ' 122' ' ' HIS . 30.1 m -153.85 167.97 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.279 -0.888 . . . . 0.54 109.771 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.584 ' O ' ' CD2' ' A' ' 122' ' ' HIS . 40.7 t -92.81 168.52 11.13 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.368 -0.833 . . . . 0.94 109.233 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.809 ' CE1' HG23 ' A' ' 120' ' ' VAL . 39.0 m80 -155.56 114.47 3.54 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.167 -0.958 . . . . 0.71 109.511 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.43 ' OXT' ' HG2' ' A' ' 19' ' ' LYS . 4.5 mt-10 . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 118.005 -0.997 . . . . 2.65 109.495 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.433 -0.58 . . . . 4.17 109.433 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.572 HD23 HD13 ' A' ' 117' ' ' LEU . 38.6 tp -96.11 -27.2 15.18 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.227 -0.921 . . . . 1.56 109.474 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.921 HG22 ' CH2' ' A' ' 69' ' ' TRP . 2.0 t -93.84 114.15 29.94 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 O-C-N 121.25 -0.906 . . . . 1.45 109.472 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -58.8 -170.13 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.268 -0.895 . . . . 2.85 109.564 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 12' ' ' SER . . . -44.01 -53.63 6.11 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.342 -0.849 . . . . 2.2 109.466 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.446 ' O ' HG12 ' A' ' 11' ' ' VAL . 72.8 mt-10 -72.21 166.79 21.68 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.292 -0.88 . . . . 3.32 109.413 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.477 ' O ' ' HA ' ' A' ' 37' ' ' LEU . . . -90.08 59.08 3.54 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.485 -1.446 . . . . 0.85 109.485 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 36' ' ' ALA . 2.5 mtm180 -135.01 137.79 43.34 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.177 -1.19 . . . . 3.1 109.532 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.597 ' HB3' ' CE2' ' A' ' 69' ' ' TRP . 10.5 p-10 -54.97 113.94 1.54 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.213 -0.929 . . . . 1.18 109.66 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -75.05 -23.68 58.15 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.186 -0.946 . . . . 3.2 109.047 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.495 ' HD3' HD11 ' A' ' 10' ' ' LEU . 1.2 mtpp -106.22 168.59 9.04 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.379 -0.826 . . . . 1.56 109.332 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.476 ' O ' ' HA ' ' A' ' 122' ' ' HIS . . . -90.1 131.06 36.16 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.224 -0.922 . . . . 0.56 109.652 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.769 HG22 ' CD2' ' A' ' 122' ' ' HIS . 22.0 t -79.8 125.14 38.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.313 -0.867 . . . . 0.5 109.099 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.541 HD23 ' O ' ' A' ' 21' ' ' VAL . 11.6 mt -122.07 123.07 40.73 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.108 -0.995 . . . . 0.92 109.857 -179.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.756 ' N ' HG23 ' A' ' 30' ' ' VAL . 4.2 t -48.91 95.4 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.06 -1.025 . . . . 0.42 108.77 179.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.51 ' N ' ' O ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -59.53 -13.11 7.82 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.616 -0.677 . . . . 2.36 109.867 -179.731 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.34 -34.0 42.53 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.079 -1.013 . . . . 2.73 109.227 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.516 ' SG ' ' CB ' ' A' ' 28' ' ' SER . 31.4 p -133.27 25.43 4.18 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.252 -0.905 . . . . 0.57 109.165 179.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 23' ' ' CYS . . . 41.84 36.39 1.78 Allowed Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.589 -1.404 . . . . 0.53 109.589 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.516 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 13.7 t -90.81 167.31 12.56 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.295 -1.121 . . . . 1.06 109.916 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -90.89 97.17 11.02 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.299 -0.875 . . . . 2.97 109.116 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.756 HG23 ' N ' ' A' ' 23' ' ' CYS . 41.6 t -71.44 -76.4 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.144 -0.973 . . . . 0.72 109.793 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.794 HD23 HG22 ' A' ' 76' ' ' ILE . 13.7 mt -123.42 163.45 20.81 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.195 -0.941 . . . . 1.58 109.738 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.451 ' HB3' ' HD2' ' A' ' 33' ' ' PRO . 36.6 mt-30 -91.25 165.4 21.54 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.307 -0.871 . . . . 2.15 109.431 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.451 ' HD2' ' HB3' ' A' ' 32' ' ' GLN . 33.9 Cg_endo -75.84 89.79 1.2 Allowed 'Trans proline' 0 C--N 1.309 -1.527 0 C-N-CA 122.541 2.161 . . . . 0.58 110.268 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 126.0 5.88 6.11 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.536 -1.426 . . . . 0.49 109.536 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.2 p -117.11 34.77 4.95 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.168 -1.195 . . . . 0.67 109.576 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.7 ' HB1' ' HB3' ' A' ' 69' ' ' TRP . . . -158.81 128.6 5.73 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.216 -0.927 . . . . 0.46 109.68 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.854 HD23 ' N ' ' A' ' 38' ' ' PHE . 5.9 tt -79.9 164.46 23.53 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.39 -0.819 . . . . 1.84 108.796 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.854 ' N ' HD23 ' A' ' 37' ' ' LEU . 9.2 t80 -91.83 152.75 19.97 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.132 -0.98 . . . . 1.36 109.444 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.474 ' OG ' ' HB2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -150.95 97.98 2.53 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.809 -1.182 . . . . 0.57 109.898 179.695 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.481 ' HA ' ' O ' ' A' ' 66' ' ' GLN . 7.3 ptt180 -85.83 47.62 1.47 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.165 -0.959 . . . . 3.46 109.116 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 66' ' ' GLN . 8.0 ttt180 -91.18 131.09 36.94 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.481 -0.762 . . . . 2.86 109.814 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.489 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 0.1 OUTLIER -61.92 98.72 0.1 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.382 -0.823 . . . . 2.31 109.4 179.682 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.929 HD22 ' CD2' ' A' ' 104' ' ' TRP . 77.6 mt -103.85 171.87 7.12 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.213 -0.929 . . . . 0.37 109.907 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.799 ' O ' HD12 ' A' ' 45' ' ' LEU . 50.7 t80 -129.57 130.66 45.99 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.527 -0.733 . . . . 1.32 109.127 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.799 HD12 ' O ' ' A' ' 44' ' ' PHE . 4.9 mp -124.73 98.82 36.39 Favored Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.242 -0.911 . . . . 1.43 110.038 -179.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.664 ' CD ' ' CZ ' ' A' ' 91' ' ' PHE . 34.9 Cg_endo -76.74 115.93 4.15 Favored 'Trans proline' 0 C--N 1.309 -1.535 0 C-N-CA 122.616 2.211 . . . . 0.57 110.226 179.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 46' ' ' PRO . 0.7 OUTLIER -40.73 115.62 0.6 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.52 -0.737 . . . . 1.58 109.791 -179.721 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.515 ' CB ' ' O ' ' A' ' 99' ' ' ILE . 0.0 OUTLIER -70.26 -21.39 62.98 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.237 -0.914 . . . . 3.43 109.323 179.874 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.505 ' O ' ' N ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -43.56 -47.87 7.43 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.32 -0.863 . . . . 5.62 109.381 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.449 ' O ' ' O ' ' A' ' 51' ' ' LYS . 13.4 ttmt 41.75 -95.03 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.456 -0.777 . . . . 8.06 109.652 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.561 ' CG ' ' HD2' ' A' ' 52' ' ' PRO . 0.1 OUTLIER 51.74 177.24 0.02 OUTLIER Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.057 -1.027 . . . . 8.49 109.368 179.786 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.73 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 34.4 Cg_endo -77.45 -81.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.47 0 C-N-CA 122.474 2.116 . . . . 8.55 110.348 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.73 ' HB3' ' O ' ' A' ' 52' ' ' PRO . . . 81.93 -38.92 0.12 Allowed 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.476 -0.765 . . . . 9.6 110.47 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.869 HD13 ' OG ' ' A' ' 55' ' ' SER . 3.2 tm? 67.47 110.99 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.94 -1.1 . . . . 11.21 109.173 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.869 ' OG ' HD13 ' A' ' 54' ' ' LEU . 5.2 m 83.6 -43.5 0.1 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.772 -0.58 . . . . 11.16 109.508 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' A' ' 56' ' ' ASP . 0.5 OUTLIER 68.46 -168.16 0.19 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.142 -0.974 . . . . 10.78 109.525 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -114.66 25.62 10.13 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.503 -1.439 . . . . 8.87 109.503 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.5 t 57.2 54.63 6.61 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.32 -1.106 . . . . 8.19 109.41 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.504 ' N ' ' HD3' ' A' ' 60' ' ' PRO . 0.2 OUTLIER -164.64 64.05 1.09 Allowed Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.26 -0.9 . . . . 7.04 109.563 -179.917 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.504 ' HD3' ' N ' ' A' ' 59' ' ' ASN . 36.2 Cg_endo -79.65 -6.96 14.61 Favored 'Trans proline' 0 C--N 1.308 -1.557 0 C-N-CA 122.697 2.264 . . . . 4.92 110.411 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.406 ' O ' ' O ' ' A' ' 62' ' ' GLY . 7.6 m-20 -81.89 128.52 34.13 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.268 -0.895 . . . . 3.68 109.664 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.498 ' HA3' ' HA ' ' A' ' 46' ' ' PRO . . . -63.53 -138.36 0.01 OUTLIER Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.263 -1.535 . . . . 0.75 109.263 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -129.57 116.41 18.86 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.175 -1.191 . . . . 1.5 109.072 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.52 ' CD1' ' HB2' ' A' ' 44' ' ' PHE . 3.6 mm? -80.97 84.1 6.53 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.452 -0.944 . . . . 1.55 108.452 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.489 ' O ' ' HA ' ' A' ' 42' ' ' GLN . 1.4 mt -85.21 -170.35 3.08 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.237 -0.915 . . . . 1.21 110.203 -178.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.501 ' O ' ' N ' ' A' ' 41' ' ' ARG . 4.6 mt-30 -147.92 -36.92 0.2 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.57 -0.706 . . . . 2.23 109.639 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.495 ' O ' ' CG ' ' A' ' 68' ' ' HIS . 10.0 mt-10 -81.89 140.64 33.97 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.293 -0.879 . . . . 2.22 109.15 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.887 ' CE1' HD12 ' A' ' 43' ' ' LEU . 87.2 m-70 -159.55 135.77 8.92 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.106 -0.996 . . . . 0.35 110.142 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.921 ' CH2' HG22 ' A' ' 11' ' ' VAL . 6.1 m95 -77.99 95.52 4.84 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 106.984 -1.488 . . . . 0.55 106.984 177.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.067 HD12 ' O ' ' A' ' 113' ' ' PHE . 55.6 tp -77.54 105.7 8.85 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.416 -0.802 . . . . 0.5 110.028 -178.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 1.06 ' CG1' HD12 ' A' ' 76' ' ' ILE . 4.8 t -96.64 159.42 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 N-CA-C 108.829 -0.804 . . . . 0.52 108.829 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -104.45 10.86 35.06 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.155 -0.966 . . . . 2.41 109.935 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.493 ' HB3' HG13 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -160.49 115.0 2.19 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.103 -0.998 . . . . 1.46 109.988 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.436 ' HG2' ' CZ ' ' A' ' 113' ' ' PHE . 0.5 OUTLIER -64.62 -29.57 70.58 Favored 'General case' 0 C--N 1.306 -1.299 0 O-C-N 121.271 -0.893 . . . . 1.88 109.383 179.695 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -56.25 -18.17 9.67 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.259 -0.901 . . . . 1.37 109.213 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 1.06 HD12 ' CG1' ' A' ' 71' ' ' VAL . 38.4 mt -62.41 -41.45 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.39 -0.819 . . . . 0.61 109.197 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.626 ' HB3' ' HB ' ' A' ' 80' ' ' VAL . 71.2 m-85 -53.64 -167.28 0.0 OUTLIER 'General case' 0 C--N 1.306 -1.3 0 O-C-N 121.208 -0.933 . . . . 1.25 109.919 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -132.98 -93.38 0.35 Allowed 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 107.787 -1.19 . . . . 1.94 107.787 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -91.17 44.69 1.2 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.139 -0.976 . . . . 1.64 108.737 178.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.626 ' HB ' ' HB3' ' A' ' 77' ' ' PHE . 0.3 OUTLIER -90.14 148.8 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.27 -0.894 . . . . 0.63 109.832 -179.199 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.524 ' CA ' ' O ' ' A' ' 93' ' ' VAL . . . -114.67 -171.86 17.23 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.43 -1.468 . . . . 0.53 109.43 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.6 ' CD1' ' HG ' ' A' ' 92' ' ' LEU . 46.8 m-85 -143.54 122.22 12.58 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.081 -1.247 . . . . 1.3 110.092 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.493 ' HB ' ' HB2' ' A' ' 91' ' ' PHE . 1.3 m -82.71 112.56 19.68 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.349 -0.844 . . . . 0.9 108.983 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' A' ' 83' ' ' THR . 0.0 OUTLIER -41.21 162.99 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.57 -0.706 . . . . 2.56 109.721 -179.829 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.488 ' HA ' ' O ' ' A' ' 89' ' ' ILE . 3.5 p-10 -56.21 116.56 3.11 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.333 -0.854 . . . . 2.61 109.739 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 14.5 t -89.0 49.21 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.193 -0.942 . . . . 1.46 109.205 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.407 ' C ' ' OD1' ' A' ' 88' ' ' ASN . . . 121.52 -56.07 0.64 Allowed Glycine 0 N--CA 1.487 2.092 0 N-CA-C 109.533 -1.427 . . . . 1.09 109.533 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.407 ' OD1' ' C ' ' A' ' 87' ' ' GLY . 0.7 OUTLIER -155.26 15.46 0.4 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.088 -1.242 . . . . 2.67 110.471 -179.661 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.621 HD13 ' NE1' ' A' ' 104' ' ' TRP . 18.9 mt -149.07 127.46 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 120.751 -1.218 . . . . 1.97 110.796 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.504 ' O ' ' HB3' ' A' ' 105' ' ' HIS . 2.6 mmmt -81.28 102.65 10.53 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 106.747 -1.575 . . . . 2.1 106.747 176.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.664 ' CZ ' ' CD ' ' A' ' 46' ' ' PRO . 52.3 m-85 -79.27 -178.57 6.28 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.928 -1.107 . . . . 1.33 109.366 -178.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.779 HD11 ' HB2' ' A' ' 105' ' ' HIS . 6.8 mp -127.49 139.47 52.78 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.229 -0.919 . . . . 1.01 109.096 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.553 HG12 ' HA3' ' A' ' 100' ' ' GLY . 3.3 m -138.99 120.32 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.404 -0.81 . . . . 0.8 109.937 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.485 ' HB3' ' SG ' ' A' ' 97' ' ' CYS . 50.8 t -45.43 129.85 8.44 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.365 -0.835 . . . . 0.45 109.441 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.73 -20.1 66.15 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.324 -0.86 . . . . 0.57 110.108 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.4 -16.34 56.36 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.086 -1.009 . . . . 1.34 109.485 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.485 ' SG ' ' HB3' ' A' ' 94' ' ' CYS . 1.6 p -153.84 57.35 0.73 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.345 -0.847 . . . . 0.64 108.897 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 97' ' ' CYS . 19.8 mt-10 -37.24 97.83 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 CA-C-O 121.405 0.621 . . . . 3.34 110.197 -179.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.515 ' O ' ' CB ' ' A' ' 48' ' ' MET . 14.1 mt -150.22 -69.1 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.462 -0.774 . . . . 2.19 108.914 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.553 ' HA3' HG12 ' A' ' 93' ' ' VAL . . . 41.24 -151.54 0.15 Allowed Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.896 -1.282 . . . . 0.58 109.896 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.607 ' O ' HD23 ' A' ' 45' ' ' LEU . 32.8 Cg_endo -74.56 107.53 0.91 Allowed 'Cis proline' 0 C--N 1.31 -1.462 0 C-N-CA 123.224 -1.573 . . . . 0.67 110.413 0.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.56 HG23 ' O ' ' A' ' 119' ' ' ARG . 5.5 mt -83.94 -32.02 8.34 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.319 -0.863 . . . . 1.5 109.789 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.637 ' C ' HD13 ' A' ' 92' ' ' LEU . . . -112.69 166.07 12.12 Favored Glycine 0 N--CA 1.492 2.425 0 C-N-CA 119.272 -1.442 . . . . 0.36 110.143 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.929 ' CD2' HD22 ' A' ' 43' ' ' LEU . 12.3 t90 -123.62 130.38 52.57 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.65 -0.912 . . . . 0.7 109.13 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.779 ' HB2' HD11 ' A' ' 92' ' ' LEU . 2.0 t-80 -145.57 87.76 1.81 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.875 -1.141 . . . . 1.3 109.72 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . 0.545 ' HB3' ' CH2' ' A' ' 104' ' ' TRP . 31.9 p -70.94 172.8 8.36 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.24 -0.912 . . . . 2.07 109.451 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.3 mt -89.96 -11.72 40.85 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.212 -0.93 . . . . 2.18 109.539 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.86 -34.36 77.77 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.202 -0.936 . . . . 2.23 109.573 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.545 ' HB3' ' CB ' ' A' ' 112' ' ' SER . 0.2 OUTLIER -126.86 101.98 6.83 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.206 -0.934 . . . . 2.21 109.496 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.11 -4.84 18.88 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.306 -0.871 . . . . 3.34 110.14 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -120.54 2.25 10.69 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.034 -1.041 . . . . 1.34 110.027 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.545 ' CB ' ' HB3' ' A' ' 109' ' ' ASP . 63.5 m -91.24 87.07 6.36 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.034 -1.041 . . . . 0.57 109.503 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 1.067 ' O ' HD12 ' A' ' 70' ' ' LEU . 78.4 m-85 -86.74 136.93 32.82 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.226 -0.921 . . . . 1.39 108.808 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.914 ' CE1' HD13 ' A' ' 70' ' ' LEU . 73.0 m-85 -124.07 142.12 51.46 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.904 -1.123 . . . . 1.26 110.423 -179.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 69' ' ' TRP . 0.7 OUTLIER -124.77 88.88 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 N-CA-C 107.963 -1.125 . . . . 0.32 107.963 178.196 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.497 ' HB3' ' HB3' ' A' ' 119' ' ' ARG . . . -33.49 112.6 0.13 Allowed 'General case' 0 N--CA 1.498 1.929 0 CA-C-O 121.704 0.764 . . . . 0.38 110.608 -178.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.688 ' O ' HG22 ' A' ' 120' ' ' VAL . 0.1 OUTLIER -51.53 -74.66 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 121.401 0.62 . . . . 1.47 110.305 -179.676 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -53.54 -15.07 0.97 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.421 -0.8 . . . . 2.44 111.34 -178.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.56 ' O ' HG23 ' A' ' 102' ' ' ILE . 0.0 OUTLIER -90.79 21.61 4.01 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.763 -1.211 . . . . 2.21 109.626 -179.548 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.809 HG23 ' CE1' ' A' ' 122' ' ' HIS . 30.1 m -153.85 167.97 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.279 -0.888 . . . . 0.54 109.771 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.584 ' O ' ' CD2' ' A' ' 122' ' ' HIS . 40.7 t -92.81 168.52 11.13 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.368 -0.833 . . . . 0.94 109.233 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.809 ' CE1' HG23 ' A' ' 120' ' ' VAL . 39.0 m80 -155.56 114.47 3.54 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.167 -0.958 . . . . 0.71 109.511 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.43 ' OXT' ' HG2' ' A' ' 19' ' ' LYS . 4.5 mt-10 . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 118.005 -0.997 . . . . 2.65 109.495 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_