data_1wit_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 1wit _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.482 ' C ' ' CD1' ' A' ' 1' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.545 -0.539 . . . . 3.0 109.545 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.426 ' HA ' ' HA3' ' A' ' 82' ' ' GLY . 3.8 mtpt -59.04 154.05 41.59 Favored Pre-proline 0 N--CA 1.49 1.543 0 O-C-N 121.312 -0.868 . . . . 3.26 109.513 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.535 ' HA ' ' CA ' ' A' ' 28' ' ' GLY . 35.5 Cg_endo -77.94 117.55 4.21 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.691 2.261 . . . . 0.71 110.653 -176.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.526 ' O ' ' HA ' ' A' ' 26' ' ' PHE . 10.6 tttt -100.05 79.08 2.14 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.33 -0.856 . . . . 3.36 108.741 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.536 ' HA ' ' CB ' ' A' ' 26' ' ' PHE . 1.1 tt -74.41 115.95 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 CA-C-O 121.397 0.618 . . . . 1.14 109.389 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.47 ' O ' ' C ' ' A' ' 7' ' ' THR . 2.0 mp -108.7 -7.66 15.56 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.235 -0.916 . . . . 2.48 110.381 -179.071 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.532 HG23 ' CG1' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -38.92 120.3 0.96 Allowed 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.374 -0.829 . . . . 1.19 109.615 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.454 ' O ' ' O ' ' A' ' 9' ' ' SER . . . -42.07 -48.01 4.6 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.373 -0.829 . . . . 2.06 109.961 -179.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.454 ' O ' ' O ' ' A' ' 8' ' ' ALA . 1.1 p 59.5 121.55 0.01 OUTLIER 'General case' 0 C--N 1.293 -1.866 0 O-C-N 121.649 -0.657 . . . . 2.81 109.599 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -167.58 -82.65 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.302 -0.874 . . . . 4.36 109.112 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.472 ' O ' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -149.16 -176.33 5.32 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 109.096 -0.705 . . . . 2.83 109.096 179.324 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.595 HG22 ' CD2' ' A' ' 20' ' ' HIS . 25.6 mm -153.94 100.08 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 O-C-N 121.309 -0.87 . . . . 1.32 109.153 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -79.92 90.91 5.35 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.258 -0.902 . . . . 3.54 110.098 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.619 HD12 ' CG ' ' A' ' 20' ' ' HIS . 2.7 mt -101.82 162.63 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.237 -0.915 . . . . 1.12 108.532 179.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.642 ' HB2' ' CD2' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -103.15 176.62 5.09 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.816 -1.178 . . . . 2.97 108.659 179.626 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.494 ' HA ' ' HA ' ' A' ' 66' ' ' LYS . . . -83.5 147.0 28.06 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.983 -1.073 . . . . 1.18 109.357 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 65' ' ' ALA . . . 54.79 33.35 55.8 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 109.444 -1.462 . . . . 0.53 109.444 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.642 ' CD2' ' HB2' ' A' ' 15' ' ' LYS . 2.7 m-85 -114.89 -175.78 2.76 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.118 -1.225 . . . . 3.16 110.933 -179.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.533 ' CB ' ' HA ' ' A' ' 63' ' ' PRO . 64.8 p -124.75 127.67 47.58 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.89 -0.781 . . . . 1.16 108.89 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.662 ' CB ' ' HB2' ' A' ' 62' ' ' PHE . 3.4 t60 -117.05 161.95 18.58 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.253 -0.904 . . . . 0.38 109.772 -179.306 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -130.45 83.78 2.15 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.348 -0.845 . . . . 2.57 109.022 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.646 ' CD2' ' CH2' ' A' ' 36' ' ' TRP . 9.9 tt -70.12 133.47 47.16 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.546 -0.721 . . . . 1.09 110.379 -179.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.447 ' O ' HG22 ' A' ' 24' ' ' VAL . 50.6 tt0 -126.52 153.25 45.42 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.418 -0.801 . . . . 2.58 109.773 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.553 HG23 ' CZ ' ' A' ' 88' ' ' PHE . 12.8 t -160.04 162.21 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 N-CA-C 108.633 -0.877 . . . . 1.07 108.633 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.546 ' HA ' ' OG1' ' A' ' 57' ' ' THR . 0.9 OUTLIER -150.34 145.65 26.26 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.868 -1.145 . . . . 2.16 110.945 -179.7 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.536 ' CB ' ' HA ' ' A' ' 5' ' ' ILE . 51.6 p90 -162.65 126.09 2.92 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.596 -0.69 . . . . 2.18 109.673 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.538 ' CD1' ' N ' ' A' ' 27' ' ' ILE . 1.6 mp -80.8 85.08 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.426 -0.796 . . . . 1.64 110.119 -179.238 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.535 ' CA ' ' HA ' ' A' ' 3' ' ' PRO . . . -118.97 147.48 18.41 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.862 -1.295 . . . . 0.88 109.862 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.552 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . . . 176.09 167.93 0.4 Allowed Pre-proline 0 N--CA 1.49 1.531 0 O-C-N 121.258 -1.142 . . . . 1.3 109.7 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.552 ' HA ' ' CB ' ' A' ' 29' ' ' ALA . 36.3 Cg_endo -74.18 143.79 78.95 Favored 'Cis proline' 0 C--N 1.31 -1.478 0 C-N-CA 123.055 -1.644 . . . . 1.71 110.355 0.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.464 ' C ' ' O ' ' A' ' 30' ' ' PRO . 0.6 OUTLIER 34.85 84.72 0.17 Allowed Pre-proline 0 N--CA 1.493 1.711 0 CA-C-N 116.33 -0.395 . . . . 2.16 110.443 179.91 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.518 ' CG ' ' O ' ' A' ' 55' ' ' SER . 36.6 Cg_endo -78.62 -167.86 0.55 Allowed 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.615 2.21 . . . . 0.59 110.224 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.5 m -138.21 115.04 10.71 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.375 -0.828 . . . . 1.17 109.251 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.477 ' HA ' ' HA ' ' A' ' 77' ' ' VAL . . . -112.97 126.48 55.54 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.284 -0.885 . . . . 1.09 109.269 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.2 m -112.65 126.97 55.95 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.28 -0.888 . . . . 1.54 109.555 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.651 ' CE3' ' HB2' ' A' ' 75' ' ' LEU . 41.5 m95 -91.0 99.98 12.92 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 122.192 0.996 . . . . 0.31 109.015 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.599 ' HA ' ' HA ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -104.28 173.7 6.19 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 120.939 -1.1 . . . . 1.13 110.602 -179.02 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.571 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 4.5 p -125.6 62.8 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 CA-C-O 121.797 0.808 . . . . 1.27 110.57 -178.153 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 72' ' ' ASN . . . 46.57 -152.48 1.24 Allowed Glycine 0 N--CA 1.49 2.287 0 N-CA-C 110.035 -1.226 . . . . 2.16 110.035 179.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.523 ' CB ' ' HB3' ' A' ' 43' ' ' ALA . 0.6 OUTLIER 71.55 0.6 3.54 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.462 -1.022 . . . . 4.79 109.981 -179.917 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 59.52 47.37 11.0 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.214 -0.929 . . . . 2.99 109.59 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 146.25 -20.17 1.73 Allowed Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.55 -1.42 . . . . 1.26 109.55 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.563 ' CB ' HG11 ' A' ' 38' ' ' VAL . . . -69.63 162.58 27.37 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.309 -1.113 . . . . 1.24 108.986 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.599 ' HA ' ' HA ' ' A' ' 37' ' ' THR . . . -141.21 171.9 13.42 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.116 -0.99 . . . . 1.28 109.608 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.669 ' HG ' ' CD2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -140.16 146.2 38.48 Favored 'General case' 0 N--CA 1.498 1.944 0 C-N-CA 118.609 -1.236 . . . . 1.71 109.957 179.302 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.556 ' N ' ' HD2' ' A' ' 47' ' ' PRO . . . 165.21 -52.83 0.0 OUTLIER Pre-proline 0 N--CA 1.488 1.436 0 O-C-N 121.376 -0.827 . . . . 2.84 110.209 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 46' ' ' ALA . 29.6 Cg_endo -70.2 -7.97 22.47 Favored 'Trans proline' 0 C--N 1.313 -1.304 0 C-N-CA 121.919 1.746 . . . . 1.91 110.566 -179.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.04 21.25 17.85 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 107.764 -1.198 . . . . 2.72 107.764 178.062 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.537 ' HB2' ' O ' ' A' ' 61' ' ' PHE . 0.8 OUTLIER 176.61 -164.08 0.03 OUTLIER 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 108.456 -0.942 . . . . 1.41 108.456 -179.295 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.566 ' HB2' ' HB3' ' A' ' 61' ' ' PHE . 8.2 mt -110.01 162.41 14.56 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 120.979 -1.076 . . . . 2.71 108.175 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.521 HG12 ' CG2' ' A' ' 60' ' ' ILE . 60.3 t -151.64 141.83 15.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 120.686 -1.259 . . . . 1.12 110.957 -179.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.509 ' O ' ' O ' ' A' ' 59' ' ' SER . 3.6 m-20 -139.58 156.14 47.05 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.13 -1.063 . . . . 1.91 108.13 178.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.548 ' CB ' ' OG1' ' A' ' 58' ' ' THR . . . -159.57 145.99 16.33 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.352 -1.467 . . . . 1.05 110.948 -179.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.532 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 49.1 mttt -123.09 158.5 30.51 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-O 121.744 0.783 . . . . 3.13 110.139 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.518 ' O ' ' CG ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -51.03 -51.31 54.33 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.148 -0.97 . . . . 1.78 111.767 -179.009 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 26' ' ' PHE . 1.0 OUTLIER -99.87 23.63 9.49 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.678 -1.264 . . . . 1.49 110.721 -178.273 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.546 ' OG1' ' HA ' ' A' ' 25' ' ' ASP . 11.8 t -178.64 -168.07 0.14 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.877 -1.139 . . . . 1.08 108.97 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.548 ' OG1' ' CB ' ' A' ' 53' ' ' ALA . 7.8 t 178.31 154.33 0.36 Allowed 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.227 -0.92 . . . . 1.07 109.55 178.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.509 ' O ' ' O ' ' A' ' 52' ' ' ASP . 6.8 p -157.68 143.08 17.06 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 107.607 -1.257 . . . . 1.19 107.607 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.581 HG22 ' CE2' ' A' ' 36' ' ' TRP . 5.5 pt -129.26 156.15 41.61 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.928 0 C-N-CA 118.033 -1.467 . . . . 1.07 110.845 -177.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.688 ' HB3' ' HD3' ' A' ' 63' ' ' PRO . 2.5 m-85 -102.27 158.51 16.13 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 113.947 1.091 . . . . 1.44 113.947 -174.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.682 ' CE2' ' CE2' ' A' ' 73' ' ' TYR . 2.4 m-85 -141.59 46.16 0.8 Allowed Pre-proline 0 N--CA 1.494 1.737 0 N-CA-C 109.018 -0.734 . . . . 1.08 109.018 177.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.688 ' HD3' ' HB3' ' A' ' 61' ' ' PHE . 28.6 Cg_endo -63.12 -12.49 30.25 Favored 'Trans proline' 0 C--N 1.309 -1.508 0 C-N-CA 121.937 1.758 . . . . 0.68 109.833 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.68 47.58 1.92 Allowed 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 108.625 -0.88 . . . . 1.43 108.625 178.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.475 ' HB3' ' HB3' ' A' ' 62' ' ' PHE . . . -82.99 141.3 32.2 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.979 -1.075 . . . . 1.08 109.897 -179.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.494 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 22.6 mtpt -148.47 174.28 12.25 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 109.307 -0.627 . . . . 2.91 109.307 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.471 ' HA ' ' HB ' ' A' ' 92' ' ' VAL . 0.8 OUTLIER -44.25 -41.69 6.06 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.227 -0.921 . . . . 4.72 109.783 -179.841 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.69 -44.37 85.8 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.201 -0.937 . . . . 1.32 110.139 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 71' ' ' GLY . 0.7 OUTLIER -45.14 -25.42 0.35 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.184 -0.948 . . . . 1.67 109.775 -179.62 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.461 ' N ' HG22 ' A' ' 92' ' ' VAL . 36.0 p -46.41 92.79 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.213 -0.93 . . . . 1.72 109.882 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 69' ' ' ASP . . . -151.93 178.81 28.98 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.621 -1.392 . . . . 0.37 109.621 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.541 ' O ' ' N ' ' A' ' 39' ' ' GLY . 42.2 m-20 -99.14 94.7 6.64 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.18 -1.188 . . . . 2.4 108.797 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.682 ' CE2' ' CE2' ' A' ' 62' ' ' PHE . 3.3 m-85 -70.99 96.33 1.29 Allowed 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.243 -0.911 . . . . 1.27 109.037 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.465 ' O ' ' OG1' ' A' ' 37' ' ' THR . 0.0 OUTLIER -102.93 119.78 39.46 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.467 -0.771 . . . . 2.57 108.941 -179.683 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.651 ' HB2' ' CE3' ' A' ' 36' ' ' TRP . 0.2 OUTLIER -108.73 142.23 39.57 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.245 -0.91 . . . . 1.06 109.619 -179.478 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.529 ' HG2' ' CG ' ' A' ' 85' ' ' GLU . 23.0 mtmt -135.17 118.59 16.8 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.371 -0.83 . . . . 3.02 109.176 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.477 ' HA ' ' HA ' ' A' ' 34' ' ' ALA . 1.0 OUTLIER -111.9 165.12 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.102 -0.999 . . . . 1.12 109.475 -179.851 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 83' ' ' GLU . 1.8 ptmt -157.83 -174.91 5.08 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.12 -0.988 . . . . 3.14 109.621 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.466 ' OD1' ' CA ' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -176.48 89.12 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.128 -0.982 . . . . 2.42 109.978 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.46 ' HG2' HD13 ' A' ' 81' ' ' LEU . 6.1 tt0 64.91 -83.13 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.492 -0.755 . . . . 2.78 110.385 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.46 HD13 ' HG2' ' A' ' 80' ' ' GLU . 1.4 mp -121.89 -10.82 8.63 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.727 -1.233 . . . . 3.2 109.631 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.492 ' HA3' ' CD ' ' A' ' 3' ' ' PRO . . . -90.87 135.73 12.99 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 108.976 -1.65 . . . . 0.74 108.976 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.442 ' HA ' ' HA ' ' A' ' 78' ' ' LYS . 13.1 pt-20 -139.81 139.32 36.35 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.01 -1.288 . . . . 2.24 110.216 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.474 ' HB3' HG23 ' A' ' 5' ' ' ILE . 0.3 OUTLIER -142.68 164.34 30.36 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.551 -0.907 . . . . 1.63 108.551 179.308 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.529 ' CG ' ' HG2' ' A' ' 76' ' ' LYS . 27.4 tt0 -156.57 148.05 22.49 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.93 -1.106 . . . . 2.36 110.114 -179.07 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.626 ' CB ' ' CZ ' ' A' ' 88' ' ' PHE . . . -131.7 131.8 43.39 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.732 -0.84 . . . . 1.15 108.732 179.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.501 ' C ' ' CD1' ' A' ' 87' ' ' ILE . 0.0 OUTLIER -94.86 131.24 42.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 121.324 -0.86 . . . . 2.3 109.389 -179.643 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.626 ' CZ ' ' CB ' ' A' ' 86' ' ' ALA . 17.7 m-85 -129.93 97.67 4.55 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.287 -0.883 . . . . 1.97 109.559 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 11' ' ' LYS . 3.2 tt0 -78.61 107.19 11.1 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 107.738 -1.208 . . . . 1.95 107.738 179.026 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.575 HG22 ' CG ' ' A' ' 73' ' ' TYR . 7.9 t -101.67 127.01 55.48 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.407 0 O-C-N 121.18 -0.95 . . . . 1.11 110.666 -178.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.541 ' CG2' ' N ' ' A' ' 92' ' ' VAL . 3.2 mt -122.24 165.33 18.25 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.391 0 O-C-N 121.388 -0.82 . . . . 2.18 109.032 179.118 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.541 ' N ' ' CG2' ' A' ' 91' ' ' ILE . 3.1 t -131.12 143.23 41.38 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 O-C-N 121.184 -0.948 . . . . 1.17 110.063 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 118.021 -0.99 . . . . 2.89 109.463 -179.957 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.522 HD13 ' C ' ' A' ' 1' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.545 -0.539 . . . . 2.4900000000000002 109.545 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.451 ' CB ' ' HA3' ' A' ' 82' ' ' GLY . 3.8 mtpt -59.04 154.05 41.59 Favored Pre-proline 0 N--CA 1.49 1.543 0 O-C-N 121.312 -0.868 . . . . 2.8999999999999999 109.513 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.52 ' HA ' ' O ' ' A' ' 27' ' ' ILE . 35.5 Cg_endo -77.94 117.55 4.21 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.691 2.261 . . . . 0.70999999999999996 110.653 -176.253 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.537 ' O ' ' HA ' ' A' ' 26' ' ' PHE . 10.6 tttt -100.05 79.08 2.14 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.33 -0.856 . . . . 2.9199999999999999 108.741 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.843 HG22 ' CG ' ' A' ' 84' ' ' ASP . 1.1 tt -74.41 115.95 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 CA-C-O 121.397 0.618 . . . . 0.45000000000000001 109.389 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.47 ' O ' ' C ' ' A' ' 7' ' ' THR . 2.0 mp -108.7 -7.66 15.56 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.235 -0.916 . . . . 1.99 110.381 -179.071 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.618 ' CG2' HG13 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -38.92 120.3 0.96 Allowed 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.374 -0.829 . . . . 1.1899999999999999 109.615 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.454 ' O ' ' O ' ' A' ' 9' ' ' SER . . . -42.07 -48.01 4.6 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.373 -0.829 . . . . 1.51 109.961 -179.537 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.454 ' O ' ' O ' ' A' ' 8' ' ' ALA . 1.1 p 59.5 121.55 0.01 OUTLIER 'General case' 0 C--N 1.293 -1.866 0 O-C-N 121.649 -0.657 . . . . 2.3900000000000001 109.599 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -167.58 -82.65 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.302 -0.874 . . . . 3.73 109.112 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.458 ' O ' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -149.16 -176.33 5.32 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 109.096 -0.705 . . . . 2.46 109.096 179.324 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.863 HG23 ' NE2' ' A' ' 20' ' ' HIS . 25.6 mm -153.94 100.08 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 O-C-N 121.309 -0.87 . . . . 0.75 109.153 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -79.92 90.91 5.35 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.258 -0.902 . . . . 3.1800000000000002 110.098 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.763 ' CG1' HG22 ' A' ' 12' ' ' ILE . 2.7 mt -101.82 162.63 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.237 -0.915 . . . . 0.5 108.532 179.159 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.66 ' HB2' ' CD2' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -103.15 176.62 5.09 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.816 -1.178 . . . . 2.5 108.659 179.626 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.511 ' HA ' ' HA ' ' A' ' 66' ' ' LYS . . . -83.5 147.0 28.06 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.983 -1.073 . . . . 0.5 109.357 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 65' ' ' ALA . . . 54.79 33.35 55.8 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 109.444 -1.462 . . . . 0.53000000000000003 109.444 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.66 ' CD2' ' HB2' ' A' ' 15' ' ' LYS . 2.7 m-85 -114.89 -175.78 2.76 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.118 -1.225 . . . . 2.2599999999999998 110.933 -179.205 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.648 HG22 ' HA ' ' A' ' 63' ' ' PRO . 64.8 p -124.75 127.67 47.58 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.89 -0.781 . . . . 0.53000000000000003 108.89 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.863 ' NE2' HG23 ' A' ' 12' ' ' ILE . 3.4 t60 -117.05 161.95 18.58 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.253 -0.904 . . . . 0.35999999999999999 109.772 -179.306 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -130.45 83.78 2.15 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.348 -0.845 . . . . 1.98 109.022 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.943 HD21 ' CH2' ' A' ' 36' ' ' TRP . 9.9 tt -70.12 133.47 47.16 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.546 -0.721 . . . . 0.33000000000000002 110.379 -179.324 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.62 ' O ' HG23 ' A' ' 24' ' ' VAL . 50.6 tt0 -126.52 153.25 45.42 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.418 -0.801 . . . . 2.5800000000000001 109.773 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 23' ' ' GLU . 12.8 t -160.04 162.21 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 N-CA-C 108.633 -0.877 . . . . 0.29999999999999999 108.633 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.556 ' HA ' ' OG1' ' A' ' 57' ' ' THR . 0.9 OUTLIER -150.34 145.65 26.26 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.868 -1.145 . . . . 2.1600000000000001 110.945 -179.7 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.594 ' HB3' HD12 ' A' ' 5' ' ' ILE . 51.6 p90 -162.65 126.09 2.92 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.596 -0.69 . . . . 1.26 109.673 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.663 ' N ' HD12 ' A' ' 27' ' ' ILE . 1.6 mp -80.8 85.08 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.426 -0.796 . . . . 1.1299999999999999 110.119 -179.238 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.497 ' CA ' ' HA ' ' A' ' 3' ' ' PRO . . . -118.97 147.48 18.41 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.862 -1.295 . . . . 0.57999999999999996 109.862 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.865 ' HB1' ' HA ' ' A' ' 30' ' ' PRO . . . 176.09 167.93 0.4 Allowed Pre-proline 0 N--CA 1.49 1.531 0 O-C-N 121.258 -1.142 . . . . 0.69999999999999996 109.7 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.865 ' HA ' ' HB1' ' A' ' 29' ' ' ALA . 36.3 Cg_endo -74.18 143.79 78.95 Favored 'Cis proline' 0 C--N 1.31 -1.478 0 C-N-CA 123.055 -1.644 . . . . 1.71 110.355 0.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.464 ' C ' ' O ' ' A' ' 30' ' ' PRO . 0.6 OUTLIER 34.85 84.72 0.17 Allowed Pre-proline 0 N--CA 1.493 1.711 0 CA-C-N 116.33 -0.395 . . . . 2.1600000000000001 110.443 179.91 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.518 ' CG ' ' O ' ' A' ' 55' ' ' SER . 36.6 Cg_endo -78.62 -167.86 0.55 Allowed 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.615 2.21 . . . . 0.58999999999999997 110.224 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 77' ' ' VAL . 18.5 m -138.21 115.04 10.71 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.375 -0.828 . . . . 0.67000000000000004 109.251 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.494 ' HA ' ' HA ' ' A' ' 77' ' ' VAL . . . -112.97 126.48 55.54 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.284 -0.885 . . . . 0.46999999999999997 109.269 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.2 m -112.65 126.97 55.95 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.28 -0.888 . . . . 0.93999999999999995 109.555 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.943 ' CH2' HD21 ' A' ' 22' ' ' LEU . 41.5 m95 -91.0 99.98 12.92 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 122.192 0.996 . . . . 0.31 109.015 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.709 HG22 ' O ' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -104.28 173.7 6.19 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 120.939 -1.1 . . . . 0.40999999999999998 110.602 -179.02 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.853 HG13 ' O ' ' A' ' 38' ' ' VAL . 4.5 p -125.6 62.8 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 CA-C-O 121.797 0.808 . . . . 1.27 110.57 -178.153 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 72' ' ' ASN . . . 46.57 -152.48 1.24 Allowed Glycine 0 N--CA 1.49 2.287 0 N-CA-C 110.035 -1.226 . . . . 2.1600000000000001 110.035 179.242 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.547 ' CB ' ' HB2' ' A' ' 43' ' ' ALA . 0.6 OUTLIER 71.55 0.6 3.54 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.462 -1.022 . . . . 4.79 109.981 -179.917 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 59.52 47.37 11.0 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.214 -0.929 . . . . 2.77 109.59 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 146.25 -20.17 1.73 Allowed Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.55 -1.42 . . . . 1.26 109.55 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.709 ' O ' HG22 ' A' ' 37' ' ' THR . . . -69.63 162.58 27.37 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.309 -1.113 . . . . 0.56000000000000005 108.986 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.641 ' N ' HG12 ' A' ' 38' ' ' VAL . . . -141.21 171.9 13.42 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.116 -0.99 . . . . 0.69999999999999996 109.608 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.787 ' C ' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -140.16 146.2 38.48 Favored 'General case' 0 N--CA 1.498 1.944 0 C-N-CA 118.609 -1.236 . . . . 1.3899999999999999 109.957 179.302 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.805 ' HB3' ' HD3' ' A' ' 47' ' ' PRO . . . 165.21 -52.83 0.0 OUTLIER Pre-proline 0 N--CA 1.488 1.436 0 O-C-N 121.376 -0.827 . . . . 2.3399999999999999 110.209 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.805 ' HD3' ' HB3' ' A' ' 46' ' ' ALA . 29.6 Cg_endo -70.2 -7.97 22.47 Favored 'Trans proline' 0 C--N 1.313 -1.304 0 C-N-CA 121.919 1.746 . . . . 1.6599999999999999 110.566 -179.475 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.04 21.25 17.85 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 107.764 -1.198 . . . . 2.7200000000000002 107.764 178.062 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.547 ' HB2' ' O ' ' A' ' 61' ' ' PHE . 0.8 OUTLIER 176.61 -164.08 0.03 OUTLIER 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 108.456 -0.942 . . . . 0.82999999999999996 108.456 -179.295 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.614 ' HB2' ' HB3' ' A' ' 61' ' ' PHE . 8.2 mt -110.01 162.41 14.56 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 120.979 -1.076 . . . . 2.1000000000000001 108.175 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.787 HG13 ' CG2' ' A' ' 60' ' ' ILE . 60.3 t -151.64 141.83 15.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 120.686 -1.259 . . . . 0.51000000000000001 110.957 -179.361 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.509 ' O ' ' O ' ' A' ' 59' ' ' SER . 3.6 m-20 -139.58 156.14 47.05 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.13 -1.063 . . . . 1.9099999999999999 108.13 178.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.55 ' HA ' ' HA ' ' A' ' 58' ' ' THR . . . -159.57 145.99 16.33 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.352 -1.467 . . . . 0.42999999999999999 110.948 -179.412 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.555 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 49.1 mttt -123.09 158.5 30.51 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-O 121.744 0.783 . . . . 2.79 110.139 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.518 ' O ' ' CG ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -51.03 -51.31 54.33 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.148 -0.97 . . . . 1.48 111.767 -179.009 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.431 ' O ' ' HB ' ' A' ' 57' ' ' THR . 1.0 OUTLIER -99.87 23.63 9.49 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.678 -1.264 . . . . 1.21 110.721 -178.273 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.556 ' OG1' ' HA ' ' A' ' 25' ' ' ASP . 11.8 t -178.64 -168.07 0.14 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.877 -1.139 . . . . 0.32000000000000001 108.97 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.55 ' HA ' ' HA ' ' A' ' 53' ' ' ALA . 7.8 t 178.31 154.33 0.36 Allowed 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.227 -0.92 . . . . 0.28999999999999998 109.55 178.419 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.509 ' O ' ' O ' ' A' ' 52' ' ' ASP . 6.8 p -157.68 143.08 17.06 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 107.607 -1.257 . . . . 1.02 107.607 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.787 ' CG2' HG13 ' A' ' 51' ' ' VAL . 5.5 pt -129.26 156.15 41.61 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.928 0 C-N-CA 118.033 -1.467 . . . . 0.47999999999999998 110.845 -177.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.747 ' HB3' ' HD3' ' A' ' 63' ' ' PRO . 2.5 m-85 -102.27 158.51 16.13 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 113.947 1.091 . . . . 1.03 113.947 -174.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.685 ' HB2' ' CB ' ' A' ' 20' ' ' HIS . 2.4 m-85 -141.59 46.16 0.8 Allowed Pre-proline 0 N--CA 1.494 1.737 0 N-CA-C 109.018 -0.734 . . . . 0.70999999999999996 109.018 177.541 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.747 ' HD3' ' HB3' ' A' ' 61' ' ' PHE . 28.6 Cg_endo -63.12 -12.49 30.25 Favored 'Trans proline' 0 C--N 1.309 -1.508 0 C-N-CA 121.937 1.758 . . . . 0.55000000000000004 109.833 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.68 47.58 1.92 Allowed 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 108.625 -0.88 . . . . 1.0900000000000001 108.625 178.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.551 ' HB2' ' HB3' ' A' ' 62' ' ' PHE . . . -82.99 141.3 32.2 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.979 -1.075 . . . . 0.29999999999999999 109.897 -179.505 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.627 ' O ' HG21 ' A' ' 92' ' ' VAL . 22.6 mtpt -148.47 174.28 12.25 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 109.307 -0.627 . . . . 2.4900000000000002 109.307 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.499 ' HA ' ' HB ' ' A' ' 92' ' ' VAL . 0.8 OUTLIER -44.25 -41.69 6.06 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.227 -0.921 . . . . 4.0800000000000001 109.783 -179.841 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.69 -44.37 85.8 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.201 -0.937 . . . . 0.60999999999999999 110.139 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 71' ' ' GLY . 0.7 OUTLIER -45.14 -25.42 0.35 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.184 -0.948 . . . . 1.6699999999999999 109.775 -179.62 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.424 ' O ' ' OG ' ' A' ' 70' ' ' SER . 36.0 p -46.41 92.79 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.213 -0.93 . . . . 1.3899999999999999 109.882 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 69' ' ' ASP . . . -151.93 178.81 28.98 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.621 -1.392 . . . . 0.37 109.621 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.541 ' O ' ' N ' ' A' ' 39' ' ' GLY . 42.2 m-20 -99.14 94.7 6.64 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.18 -1.188 . . . . 1.95 108.797 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.695 ' CD2' ' HG ' ' A' ' 45' ' ' LEU . 3.3 m-85 -70.99 96.33 1.29 Allowed 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.243 -0.911 . . . . 0.80000000000000004 109.037 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.421 ' HD3' ' OE2' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -102.93 119.78 39.46 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.467 -0.771 . . . . 2.1600000000000001 108.941 -179.683 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.796 HD13 ' CE2' ' A' ' 36' ' ' TRP . 0.2 OUTLIER -108.73 142.23 39.57 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.245 -0.91 . . . . 0.29999999999999999 109.619 -179.478 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.552 ' HG2' ' CG ' ' A' ' 85' ' ' GLU . 23.0 mtmt -135.17 118.59 16.8 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.371 -0.83 . . . . 2.6400000000000001 109.176 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.494 ' HA ' ' HA ' ' A' ' 34' ' ' ALA . 1.0 OUTLIER -111.9 165.12 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.102 -0.999 . . . . 0.56999999999999995 109.475 -179.851 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 83' ' ' GLU . 1.8 ptmt -157.83 -174.91 5.08 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.12 -0.988 . . . . 2.6899999999999999 109.621 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.466 ' OD1' ' CA ' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -176.48 89.12 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.128 -0.982 . . . . 1.95 109.978 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 64.91 -83.13 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.492 -0.755 . . . . 2.7799999999999998 110.385 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.4 mp -121.89 -10.82 8.63 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.727 -1.233 . . . . 2.7200000000000002 109.631 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.488 ' C ' ' CD ' ' A' ' 3' ' ' PRO . . . -90.87 135.73 12.99 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 108.976 -1.65 . . . . 0.67000000000000004 108.976 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.459 ' HA ' ' HA ' ' A' ' 78' ' ' LYS . 13.1 pt-20 -139.81 139.32 36.35 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.01 -1.288 . . . . 2.2400000000000002 110.216 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.843 ' CG ' HG22 ' A' ' 5' ' ' ILE . 0.3 OUTLIER -142.68 164.34 30.36 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.551 -0.907 . . . . 1.6299999999999999 108.551 179.308 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.552 ' CG ' ' HG2' ' A' ' 76' ' ' LYS . 27.4 tt0 -156.57 148.05 22.49 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.93 -1.106 . . . . 2.3599999999999999 110.114 -179.07 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.661 ' HB3' ' CE1' ' A' ' 88' ' ' PHE . . . -131.7 131.8 43.39 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.732 -0.84 . . . . 0.41999999999999998 108.732 179.193 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.829 HD13 ' N ' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -94.86 131.24 42.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 121.324 -0.86 . . . . 1.72 109.389 -179.643 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.829 ' N ' HD13 ' A' ' 87' ' ' ILE . 17.7 m-85 -129.93 97.67 4.55 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.287 -0.883 . . . . 1.1799999999999999 109.559 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.42 ' O ' ' HA ' ' A' ' 11' ' ' LYS . 3.2 tt0 -78.61 107.19 11.1 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 107.738 -1.208 . . . . 1.95 107.738 179.026 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.534 HG13 ' HB ' ' A' ' 12' ' ' ILE . 7.9 t -101.67 127.01 55.48 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.407 0 O-C-N 121.18 -0.95 . . . . 0.40999999999999998 110.666 -178.198 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.62 HG22 ' N ' ' A' ' 92' ' ' VAL . 3.2 mt -122.24 165.33 18.25 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.391 0 O-C-N 121.388 -0.82 . . . . 1.5900000000000001 109.032 179.118 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.627 HG21 ' O ' ' A' ' 66' ' ' LYS . 3.1 t -131.12 143.23 41.38 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 O-C-N 121.184 -0.948 . . . . 0.56999999999999995 110.063 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 118.021 -0.99 . . . . 2.6200000000000001 109.463 -179.957 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.522 ' C ' HD13 ' A' ' 1' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.545 -0.539 . . . . 2.49 109.545 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.451 ' CB ' ' HA3' ' A' ' 82' ' ' GLY . 3.8 mtpt -59.04 154.05 41.59 Favored Pre-proline 0 N--CA 1.49 1.543 0 O-C-N 121.312 -0.868 . . . . 2.9 109.513 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.52 ' HA ' ' O ' ' A' ' 27' ' ' ILE . 35.5 Cg_endo -77.94 117.55 4.21 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.691 2.261 . . . . 0.71 110.653 -176.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.537 ' O ' ' HA ' ' A' ' 26' ' ' PHE . 10.6 tttt -100.05 79.08 2.14 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.33 -0.856 . . . . 2.92 108.741 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.843 HG22 ' CG ' ' A' ' 84' ' ' ASP . 1.1 tt -74.41 115.95 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 CA-C-O 121.397 0.618 . . . . 0.45 109.389 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.47 ' O ' ' C ' ' A' ' 7' ' ' THR . 2.0 mp -108.7 -7.66 15.56 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.235 -0.916 . . . . 1.99 110.381 -179.071 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.618 ' CG2' HG13 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -38.92 120.3 0.96 Allowed 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.374 -0.829 . . . . 1.19 109.615 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.454 ' O ' ' O ' ' A' ' 9' ' ' SER . . . -42.07 -48.01 4.6 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.373 -0.829 . . . . 1.51 109.961 -179.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.454 ' O ' ' O ' ' A' ' 8' ' ' ALA . 1.1 p 59.5 121.55 0.01 OUTLIER 'General case' 0 C--N 1.293 -1.866 0 O-C-N 121.649 -0.657 . . . . 2.39 109.599 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -167.58 -82.65 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.302 -0.874 . . . . 3.73 109.112 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.458 ' O ' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -149.16 -176.33 5.32 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 109.096 -0.705 . . . . 2.46 109.096 179.324 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.863 HG23 ' NE2' ' A' ' 20' ' ' HIS . 25.6 mm -153.94 100.08 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 O-C-N 121.309 -0.87 . . . . 0.75 109.153 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -79.92 90.91 5.35 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.258 -0.902 . . . . 3.18 110.098 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.763 ' CG1' HG22 ' A' ' 12' ' ' ILE . 2.7 mt -101.82 162.63 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.237 -0.915 . . . . 0.5 108.532 179.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.66 ' HB2' ' CD2' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -103.15 176.62 5.09 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.816 -1.178 . . . . 2.5 108.659 179.626 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.511 ' HA ' ' HA ' ' A' ' 66' ' ' LYS . . . -83.5 147.0 28.06 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.983 -1.073 . . . . 0.5 109.357 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 65' ' ' ALA . . . 54.79 33.35 55.8 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 109.444 -1.462 . . . . 0.53 109.444 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.66 ' CD2' ' HB2' ' A' ' 15' ' ' LYS . 2.7 m-85 -114.89 -175.78 2.76 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.118 -1.225 . . . . 2.26 110.933 -179.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.648 HG22 ' HA ' ' A' ' 63' ' ' PRO . 64.8 p -124.75 127.67 47.58 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.89 -0.781 . . . . 0.53 108.89 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.863 ' NE2' HG23 ' A' ' 12' ' ' ILE . 3.4 t60 -117.05 161.95 18.58 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.253 -0.904 . . . . 0.36 109.772 -179.306 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -130.45 83.78 2.15 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.348 -0.845 . . . . 1.98 109.022 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.943 HD21 ' CH2' ' A' ' 36' ' ' TRP . 9.9 tt -70.12 133.47 47.16 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.546 -0.721 . . . . 0.33 110.379 -179.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.62 ' O ' HG23 ' A' ' 24' ' ' VAL . 50.6 tt0 -126.52 153.25 45.42 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.418 -0.801 . . . . 2.58 109.773 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 23' ' ' GLU . 12.8 t -160.04 162.21 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 N-CA-C 108.633 -0.877 . . . . 0.3 108.633 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.556 ' HA ' ' OG1' ' A' ' 57' ' ' THR . 0.9 OUTLIER -150.34 145.65 26.26 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.868 -1.145 . . . . 2.16 110.945 -179.7 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.594 ' HB3' HD12 ' A' ' 5' ' ' ILE . 51.6 p90 -162.65 126.09 2.92 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.596 -0.69 . . . . 1.26 109.673 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.663 ' N ' HD12 ' A' ' 27' ' ' ILE . 1.6 mp -80.8 85.08 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.426 -0.796 . . . . 1.13 110.119 -179.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.497 ' CA ' ' HA ' ' A' ' 3' ' ' PRO . . . -118.97 147.48 18.41 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.862 -1.295 . . . . 0.58 109.862 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.865 ' HB1' ' HA ' ' A' ' 30' ' ' PRO . . . 176.09 167.93 0.4 Allowed Pre-proline 0 N--CA 1.49 1.531 0 O-C-N 121.258 -1.142 . . . . 0.7 109.7 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.865 ' HA ' ' HB1' ' A' ' 29' ' ' ALA . 36.3 Cg_endo -74.18 143.79 78.95 Favored 'Cis proline' 0 C--N 1.31 -1.478 0 C-N-CA 123.055 -1.644 . . . . 1.71 110.355 0.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.464 ' C ' ' O ' ' A' ' 30' ' ' PRO . 0.6 OUTLIER 34.85 84.72 0.17 Allowed Pre-proline 0 N--CA 1.493 1.711 0 CA-C-N 116.33 -0.395 . . . . 2.16 110.443 179.91 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.518 ' CG ' ' O ' ' A' ' 55' ' ' SER . 36.6 Cg_endo -78.62 -167.86 0.55 Allowed 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.615 2.21 . . . . 0.59 110.224 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 77' ' ' VAL . 18.5 m -138.21 115.04 10.71 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.375 -0.828 . . . . 0.67 109.251 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.494 ' HA ' ' HA ' ' A' ' 77' ' ' VAL . . . -112.97 126.48 55.54 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.284 -0.885 . . . . 0.47 109.269 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.2 m -112.65 126.97 55.95 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.28 -0.888 . . . . 0.94 109.555 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.943 ' CH2' HD21 ' A' ' 22' ' ' LEU . 41.5 m95 -91.0 99.98 12.92 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 122.192 0.996 . . . . 0.31 109.015 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.709 HG22 ' O ' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -104.28 173.7 6.19 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 120.939 -1.1 . . . . 0.41 110.602 -179.02 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.853 HG13 ' O ' ' A' ' 38' ' ' VAL . 4.5 p -125.6 62.8 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 CA-C-O 121.797 0.808 . . . . 1.27 110.57 -178.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 72' ' ' ASN . . . 46.57 -152.48 1.24 Allowed Glycine 0 N--CA 1.49 2.287 0 N-CA-C 110.035 -1.226 . . . . 2.16 110.035 179.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.547 ' CB ' ' HB2' ' A' ' 43' ' ' ALA . 0.6 OUTLIER 71.55 0.6 3.54 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.462 -1.022 . . . . 4.79 109.981 -179.917 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 59.52 47.37 11.0 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.214 -0.929 . . . . 2.77 109.59 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 146.25 -20.17 1.73 Allowed Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.55 -1.42 . . . . 1.26 109.55 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.709 ' O ' HG22 ' A' ' 37' ' ' THR . . . -69.63 162.58 27.37 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.309 -1.113 . . . . 0.56 108.986 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.641 ' N ' HG12 ' A' ' 38' ' ' VAL . . . -141.21 171.9 13.42 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.116 -0.99 . . . . 0.7 109.608 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.787 ' C ' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -140.16 146.2 38.48 Favored 'General case' 0 N--CA 1.498 1.944 0 C-N-CA 118.609 -1.236 . . . . 1.39 109.957 179.302 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.805 ' HB3' ' HD3' ' A' ' 47' ' ' PRO . . . 165.21 -52.83 0.0 OUTLIER Pre-proline 0 N--CA 1.488 1.436 0 O-C-N 121.376 -0.827 . . . . 2.34 110.209 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.805 ' HD3' ' HB3' ' A' ' 46' ' ' ALA . 29.6 Cg_endo -70.2 -7.97 22.47 Favored 'Trans proline' 0 C--N 1.313 -1.304 0 C-N-CA 121.919 1.746 . . . . 1.66 110.566 -179.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.04 21.25 17.85 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 107.764 -1.198 . . . . 2.72 107.764 178.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.547 ' HB2' ' O ' ' A' ' 61' ' ' PHE . 0.8 OUTLIER 176.61 -164.08 0.03 OUTLIER 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 108.456 -0.942 . . . . 0.83 108.456 -179.295 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.614 ' HB2' ' HB3' ' A' ' 61' ' ' PHE . 8.2 mt -110.01 162.41 14.56 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 120.979 -1.076 . . . . 2.1 108.175 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.787 HG13 ' CG2' ' A' ' 60' ' ' ILE . 60.3 t -151.64 141.83 15.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 120.686 -1.259 . . . . 0.51 110.957 -179.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.509 ' O ' ' O ' ' A' ' 59' ' ' SER . 3.6 m-20 -139.58 156.14 47.05 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.13 -1.063 . . . . 1.91 108.13 178.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.55 ' HA ' ' HA ' ' A' ' 58' ' ' THR . . . -159.57 145.99 16.33 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.352 -1.467 . . . . 0.43 110.948 -179.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.555 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 49.1 mttt -123.09 158.5 30.51 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-O 121.744 0.783 . . . . 2.79 110.139 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.518 ' O ' ' CG ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -51.03 -51.31 54.33 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.148 -0.97 . . . . 1.48 111.767 -179.009 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.431 ' O ' ' HB ' ' A' ' 57' ' ' THR . 1.0 OUTLIER -99.87 23.63 9.49 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.678 -1.264 . . . . 1.21 110.721 -178.273 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.556 ' OG1' ' HA ' ' A' ' 25' ' ' ASP . 11.8 t -178.64 -168.07 0.14 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.877 -1.139 . . . . 0.32 108.97 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.55 ' HA ' ' HA ' ' A' ' 53' ' ' ALA . 7.8 t 178.31 154.33 0.36 Allowed 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.227 -0.92 . . . . 0.29 109.55 178.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.509 ' O ' ' O ' ' A' ' 52' ' ' ASP . 6.8 p -157.68 143.08 17.06 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 107.607 -1.257 . . . . 1.02 107.607 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.787 ' CG2' HG13 ' A' ' 51' ' ' VAL . 5.5 pt -129.26 156.15 41.61 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.928 0 C-N-CA 118.033 -1.467 . . . . 0.48 110.845 -177.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.747 ' HB3' ' HD3' ' A' ' 63' ' ' PRO . 2.5 m-85 -102.27 158.51 16.13 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 113.947 1.091 . . . . 1.03 113.947 -174.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.685 ' HB2' ' CB ' ' A' ' 20' ' ' HIS . 2.4 m-85 -141.59 46.16 0.8 Allowed Pre-proline 0 N--CA 1.494 1.737 0 N-CA-C 109.018 -0.734 . . . . 0.71 109.018 177.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.747 ' HD3' ' HB3' ' A' ' 61' ' ' PHE . 28.6 Cg_endo -63.12 -12.49 30.25 Favored 'Trans proline' 0 C--N 1.309 -1.508 0 C-N-CA 121.937 1.758 . . . . 0.55 109.833 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.68 47.58 1.92 Allowed 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 108.625 -0.88 . . . . 1.09 108.625 178.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.551 ' HB2' ' HB3' ' A' ' 62' ' ' PHE . . . -82.99 141.3 32.2 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.979 -1.075 . . . . 0.3 109.897 -179.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.627 ' O ' HG21 ' A' ' 92' ' ' VAL . 22.6 mtpt -148.47 174.28 12.25 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 109.307 -0.627 . . . . 2.49 109.307 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.499 ' HA ' ' HB ' ' A' ' 92' ' ' VAL . 0.8 OUTLIER -44.25 -41.69 6.06 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.227 -0.921 . . . . 4.08 109.783 -179.841 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.69 -44.37 85.8 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.201 -0.937 . . . . 0.61 110.139 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 71' ' ' GLY . 0.7 OUTLIER -45.14 -25.42 0.35 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.184 -0.948 . . . . 1.67 109.775 -179.62 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.424 ' O ' ' OG ' ' A' ' 70' ' ' SER . 36.0 p -46.41 92.79 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.213 -0.93 . . . . 1.39 109.882 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 69' ' ' ASP . . . -151.93 178.81 28.98 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.621 -1.392 . . . . 0.37 109.621 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.541 ' O ' ' N ' ' A' ' 39' ' ' GLY . 42.2 m-20 -99.14 94.7 6.64 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.18 -1.188 . . . . 1.95 108.797 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.695 ' CD2' ' HG ' ' A' ' 45' ' ' LEU . 3.3 m-85 -70.99 96.33 1.29 Allowed 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.243 -0.911 . . . . 0.8 109.037 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.421 ' HD3' ' OE2' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -102.93 119.78 39.46 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.467 -0.771 . . . . 2.16 108.941 -179.683 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.796 HD13 ' CE2' ' A' ' 36' ' ' TRP . 0.2 OUTLIER -108.73 142.23 39.57 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.245 -0.91 . . . . 0.3 109.619 -179.478 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.552 ' HG2' ' CG ' ' A' ' 85' ' ' GLU . 23.0 mtmt -135.17 118.59 16.8 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.371 -0.83 . . . . 2.64 109.176 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.494 ' HA ' ' HA ' ' A' ' 34' ' ' ALA . 1.0 OUTLIER -111.9 165.12 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.102 -0.999 . . . . 0.57 109.475 -179.851 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 83' ' ' GLU . 1.8 ptmt -157.83 -174.91 5.08 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.12 -0.988 . . . . 2.69 109.621 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.466 ' OD1' ' CA ' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -176.48 89.12 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.128 -0.982 . . . . 1.95 109.978 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 64.91 -83.13 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.492 -0.755 . . . . 2.78 110.385 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.4 mp -121.89 -10.82 8.63 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.727 -1.233 . . . . 2.72 109.631 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.488 ' C ' ' CD ' ' A' ' 3' ' ' PRO . . . -90.87 135.73 12.99 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 108.976 -1.65 . . . . 0.67 108.976 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.459 ' HA ' ' HA ' ' A' ' 78' ' ' LYS . 13.1 pt-20 -139.81 139.32 36.35 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.01 -1.288 . . . . 2.24 110.216 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.843 ' CG ' HG22 ' A' ' 5' ' ' ILE . 0.3 OUTLIER -142.68 164.34 30.36 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.551 -0.907 . . . . 1.63 108.551 179.308 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.552 ' CG ' ' HG2' ' A' ' 76' ' ' LYS . 27.4 tt0 -156.57 148.05 22.49 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.93 -1.106 . . . . 2.36 110.114 -179.07 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.661 ' HB3' ' CE1' ' A' ' 88' ' ' PHE . . . -131.7 131.8 43.39 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.732 -0.84 . . . . 0.42 108.732 179.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.829 HD13 ' N ' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -94.86 131.24 42.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 121.324 -0.86 . . . . 1.72 109.389 -179.643 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.829 ' N ' HD13 ' A' ' 87' ' ' ILE . 17.7 m-85 -129.93 97.67 4.55 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.287 -0.883 . . . . 1.18 109.559 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.42 ' O ' ' HA ' ' A' ' 11' ' ' LYS . 3.2 tt0 -78.61 107.19 11.1 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 107.738 -1.208 . . . . 1.95 107.738 179.026 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.534 HG13 ' HB ' ' A' ' 12' ' ' ILE . 7.9 t -101.67 127.01 55.48 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.407 0 O-C-N 121.18 -0.95 . . . . 0.41 110.666 -178.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.62 HG22 ' N ' ' A' ' 92' ' ' VAL . 3.2 mt -122.24 165.33 18.25 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.391 0 O-C-N 121.388 -0.82 . . . . 1.59 109.032 179.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.627 HG21 ' O ' ' A' ' 66' ' ' LYS . 3.1 t -131.12 143.23 41.38 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 O-C-N 121.184 -0.948 . . . . 0.57 110.063 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 118.021 -0.99 . . . . 2.62 109.463 -179.957 . . . . . . . . 0 0 . 1 stop_ save_