data_1fi3_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 1fi3 _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 ' 1' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 109.671 -0.492 . . . . 6.44 109.671 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.91 -17.53 59.73 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.259 -0.901 . . . . 3.32 109.763 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.6 -53.3 47.16 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.613 -1.395 . . . . 1.12 109.613 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -66.97 -39.73 87.29 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.358 -1.083 . . . . 1.67 109.361 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.78 -40.34 97.01 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.452 -0.78 . . . . 1.4 109.421 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.416 ' HB3' ' HG ' ' A' ' 74' ' ' LEU . 40.5 mt -64.82 -46.94 79.86 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.361 -0.837 . . . . 1.41 109.43 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.503 ' CE2' ' CB ' ' A' ' 13' ' ' ALA . 19.0 t80 -64.91 -17.13 64.07 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 121.312 -0.867 . . . . 2.12 109.048 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.4 mmtt -79.71 -71.04 0.47 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.414 -0.804 . . . . 2.89 109.49 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.498 ' O ' ' HD3' ' A' ' 11' ' ' PRO . 0.9 OUTLIER -51.17 -26.44 6.83 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.207 -0.933 . . . . 1.05 109.187 179.505 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.631 ' C ' ' H ' ' A' ' 12' ' ' CYS . 6.8 mmtt -94.4 100.45 5.12 Favored Pre-proline 0 C--N 1.295 -1.785 0 N-CA-C 106.715 -1.587 . . . . 2.78 106.715 177.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.498 ' HD3' ' O ' ' A' ' 9' ' ' SER . 21.9 Cg_endo -58.81 22.77 0.03 OUTLIER 'Trans proline' 0 C--N 1.32 -0.955 0 C-N-CA 121.98 1.786 . . . . 0.53 112.59 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.631 ' H ' ' C ' ' A' ' 10' ' ' LYS . 34.1 m -52.69 -33.68 48.7 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 106.363 -1.717 . . . . 0.29 106.363 176.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.503 ' CB ' ' CE2' ' A' ' 7' ' ' PHE . . . -74.4 -33.91 63.14 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.438 -0.949 . . . . 1.03 108.438 178.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 11' ' ' PRO . . . -48.59 -31.63 6.89 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 107.937 -1.134 . . . . 1.09 107.937 178.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.569 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.5 OUTLIER -106.16 -32.0 8.43 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 108.052 -1.092 . . . . 0.33 108.052 177.889 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.477 ' O ' ' O ' ' A' ' 13' ' ' ALA . 67.6 m-70 -89.6 -176.35 4.98 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.124 -0.985 . . . . 0.42 109.694 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -160.05 -172.12 3.49 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.207 -0.933 . . . . 1.67 109.451 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.4 p -125.57 -40.72 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.399 -0.813 . . . . 1.39 109.258 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -142.51 46.59 1.6 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.377 -0.827 . . . . 1.79 109.638 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.5 m -154.19 -50.21 0.09 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.224 -0.922 . . . . 1.68 109.703 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.6 ttpp 67.45 135.43 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.371 -0.83 . . . . 4.28 109.806 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 6.2 mtt -147.2 -58.31 0.27 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.438 -0.789 . . . . 2.86 109.114 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -111.4 -38.69 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.475 -0.766 . . . . 1.13 109.042 179.378 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -125.85 171.19 17.69 Favored Glycine 0 N--CA 1.495 2.576 0 N-CA-C 108.449 -1.86 . . . . 0.41 108.449 178.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.619 ' HG3' ' CD2' ' A' ' 56' ' ' TRP . 30.8 Cg_endo -76.07 138.81 20.96 Favored 'Trans proline' 0 C--N 1.311 -1.413 0 C-N-CA 121.731 1.621 . . . . 0.41 110.415 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.497 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -53.67 151.64 5.93 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.533 -0.729 . . . . 1.19 110.019 -179.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.416 ' HA ' HG23 ' A' ' 30' ' ' VAL . 4.2 mt -50.21 -23.25 2.11 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.692 -0.63 . . . . 1.74 110.067 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -69.6 -52.12 28.99 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.216 -0.927 . . . . 3.66 109.848 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -63.48 -39.37 94.26 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.19 -0.944 . . . . 1.95 109.04 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -73.27 -38.19 53.56 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 C-N-CA 120.039 -0.664 . . . . 1.13 109.684 178.659 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.403 ' CB ' ' O ' ' A' ' 27' ' ' LEU . . . -69.64 -30.8 68.59 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.256 -0.903 . . . . 1.21 109.143 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.57 -33.01 60.58 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.394 -0.816 . . . . 1.31 109.261 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.468 ' HG3' ' CH2' ' A' ' 56' ' ' TRP . 4.0 mmtt -70.57 -39.44 73.89 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.41 -0.807 . . . . 3.07 109.324 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.406 ' HB3' ' CB ' ' A' ' 40' ' ' ALA . 64.1 m-80 -96.66 22.82 7.61 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.441 -0.787 . . . . 1.12 109.953 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.66 -41.69 23.35 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.242 -0.911 . . . . 1.38 109.313 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -77.45 -5.17 85.57 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.633 -1.387 . . . . 1.22 109.633 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.6 t -105.08 94.92 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.272 -1.134 . . . . 2.32 109.027 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -49.59 -25.83 3.09 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.595 -0.691 . . . . 2.94 110.044 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.0 37.93 3.27 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.054 -1.618 . . . . 0.87 109.054 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.426 ' O ' ' HG ' ' A' ' 44' ' ' LEU . . . -54.72 -58.58 6.98 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.48 -1.012 . . . . 1.41 110.014 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.92 -34.14 5.22 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.512 -0.743 . . . . 1.45 110.134 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.415 ' O ' ' CD2' ' A' ' 46' ' ' LEU . 1.4 m-20 -66.42 -52.12 49.85 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.577 -0.897 . . . . 1.95 108.577 179.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.444 ' HA ' HD22 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -59.45 -46.42 88.82 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.487 -0.758 . . . . 1.28 109.779 179.736 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 40' ' ' ALA . 9.5 mt -65.12 -29.05 69.87 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.251 -0.906 . . . . 1.6 109.468 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.11 -59.42 3.47 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.386 -0.821 . . . . 1.24 110.096 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.641 ' O ' ' HB2' ' A' ' 50' ' ' ASN . 0.3 OUTLIER -60.72 -22.01 63.53 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.118 -0.988 . . . . 1.42 110.003 -179.387 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.41 ' CD2' ' O ' ' A' ' 43' ' ' THR . 40.5 m170 -77.01 -39.4 50.44 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.649 -1.282 . . . . 0.45 109.752 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.593 ' CD1' ' CHB' ' A' ' 83' ' ' HEC . 1.1 mp -90.0 -59.44 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.038 -1.039 . . . . 1.09 108.536 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -56.08 -19.27 12.37 Favored 'General case' 0 C--N 1.296 -1.739 0 C-N-CA 120.543 -0.463 . . . . 2.49 110.183 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.641 ' HB2' ' O ' ' A' ' 46' ' ' LEU . 2.6 m120 -136.04 41.26 2.66 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.939 -1.101 . . . . 1.76 110.463 -179.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.415 ' HA2' ' HB3' ' A' ' 61' ' ' HIS . . . 54.56 173.37 0.08 OUTLIER Glycine 0 N--CA 1.497 2.735 0 N-CA-C 109.777 -1.329 . . . . 0.51 109.777 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.462 ' O ' ' HA ' ' A' ' 60' ' ' PRO . 0.0 OUTLIER -176.27 139.61 0.36 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.954 -1.321 . . . . 1.94 109.649 -179.821 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -165.01 178.17 7.27 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.486 -0.759 . . . . 4.35 109.719 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.99 17.39 77.03 Favored Glycine 0 N--CA 1.495 2.574 0 N-CA-C 109.985 -1.246 . . . . 1.05 109.985 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.436 HG21 ' O1A' ' A' ' 83' ' ' HEC . 0.0 OUTLIER -120.48 -74.85 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.341 -1.094 . . . . 1.15 109.314 -179.676 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.689 ' HE1' ' CGA' ' A' ' 83' ' ' HEC . 65.5 m95 -86.91 2.21 50.03 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.898 -0.501 . . . . 0.68 110.002 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.407 ' O ' ' O2D' ' A' ' 83' ' ' HEC . . . 153.91 -178.69 30.68 Favored Glycine 0 N--CA 1.493 2.484 0 N-CA-C 109.703 -1.359 . . . . 0.99 109.703 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -80.09 -0.26 10.54 Favored 'Trans proline' 0 C--N 1.311 -1.404 0 C-N-CA 122.544 2.162 . . . . 1.82 111.038 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.473 ' O ' HBD2 ' A' ' 83' ' ' HEC . 57.9 mt -89.02 116.6 66.75 Favored Pre-proline 0 N--CA 1.493 1.709 0 O-C-N 121.119 -0.988 . . . . 2.38 109.91 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.462 ' HA ' ' O ' ' A' ' 52' ' ' SER . 36.7 Cg_endo -79.18 179.22 6.64 Favored 'Trans proline' 0 C--N 1.315 -1.227 0 C-N-CA 122.55 2.166 . . . . 0.82 111.491 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.766 ' ND1' ' HD2' ' A' ' 62' ' ' PRO . 2.1 t-80 -112.37 145.45 32.9 Favored Pre-proline 0 C--N 1.285 -2.207 0 CA-C-N 114.339 -1.301 . . . . 0.36 112.011 -176.106 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.766 ' HD2' ' ND1' ' A' ' 61' ' ' HIS . 37.1 Cg_endo -70.91 173.78 11.48 Favored 'Trans proline' 0 C--N 1.318 -1.072 0 C-N-CA 121.738 1.625 . . . . 0.32 110.191 178.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -80.33 101.22 1.31 Allowed 'Trans proline' 0 C--N 1.31 -1.494 0 C-N-CA 122.171 1.914 . . . . 0.45 108.052 178.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.688 ' ND2' ' HG2' ' A' ' 62' ' ' PRO . 0.0 OUTLIER -118.2 82.73 18.64 Favored Pre-proline 0 N--CA 1.494 1.77 0 O-C-N 121.383 -0.823 . . . . 2.25 109.23 -177.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -77.54 122.07 5.85 Favored 'Trans proline' 0 C--N 1.314 -1.281 0 C-N-CA 122.393 2.062 . . . . 2.12 110.648 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.442 ' CG2' ' N ' ' A' ' 67' ' ' THR . 0.4 OUTLIER -127.41 160.42 36.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.449 -0.782 . . . . 2.35 108.969 179.725 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.442 ' N ' ' CG2' ' A' ' 66' ' ' VAL . 10.3 p -79.96 143.88 33.79 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.628 -0.67 . . . . 1.87 109.286 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -51.48 -29.1 15.28 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.39 -0.819 . . . . 2.93 109.837 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -69.8 -49.97 47.51 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.303 -0.873 . . . . 2.38 109.084 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -71.61 -39.85 70.19 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.447 -0.783 . . . . 2.29 109.394 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.51 -33.95 76.72 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.339 -0.85 . . . . 1.5 109.285 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.4 mttm -71.13 -46.98 60.52 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.393 -0.817 . . . . 3.2 109.263 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 48.3 mm -66.71 -46.53 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.327 -0.858 . . . . 2.32 109.292 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.437 ' O ' ' CG1' ' A' ' 78' ' ' VAL . 3.8 mt -63.55 -27.88 69.56 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.462 -0.774 . . . . 2.04 109.13 179.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.635 ' HA ' ' CG2' ' A' ' 78' ' ' VAL . . . -79.64 -23.43 42.57 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.339 -0.85 . . . . 1.49 109.241 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.468 ' HA ' HD21 ' A' ' 79' ' ' LEU . 37.1 mt-10 -80.46 -43.37 21.0 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.299 -0.875 . . . . 1.71 108.925 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 82.6 t90 -68.35 -36.16 78.82 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.313 -0.867 . . . . 0.72 108.752 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.635 ' CG2' ' HA ' ' A' ' 75' ' ' ALA . 26.9 m -68.67 -45.69 80.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.204 -0.935 . . . . 1.4 110.254 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.468 HD21 ' HA ' ' A' ' 76' ' ' GLU . 4.7 pp -74.51 -29.19 61.31 Favored 'General case' 0 N--CA 1.486 1.325 0 O-C-N 120.947 -1.095 . . . . 2.5 109.588 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 82' ' ' LYS . 4.6 t -83.9 -36.0 23.67 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.401 -0.812 . . . . 2.21 109.546 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.9 mt 50.35 -88.95 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.57 -0.706 . . . . 2.2 110.307 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 80' ' ' SER . 6.1 tptm . . . . . 0 N--CA 1.491 1.609 0 O-C-N 121.07 -1.019 . . . . 6.24 109.46 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' HEC . . . . . 0.689 ' CGA' ' HE1' ' A' ' 56' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 109.671 -0.492 . . . . 5.8200000000000003 109.671 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.91 -17.53 59.73 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.259 -0.901 . . . . 3.3199999999999998 109.763 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.6 -53.3 47.16 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.613 -1.395 . . . . 0.96999999999999997 109.613 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -66.97 -39.73 87.29 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.358 -1.083 . . . . 1.6699999999999999 109.361 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.78 -40.34 97.01 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.452 -0.78 . . . . 0.71999999999999997 109.421 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.445 ' HB3' ' HG ' ' A' ' 74' ' ' LEU . 40.5 mt -64.82 -46.94 79.86 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.361 -0.837 . . . . 0.80000000000000004 109.43 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.961 ' CE2' ' HB2' ' A' ' 13' ' ' ALA . 19.0 t80 -64.91 -17.13 64.07 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 121.312 -0.867 . . . . 1.23 109.048 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.4 mmtt -79.71 -71.04 0.47 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.414 -0.804 . . . . 2.3900000000000001 109.49 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.544 ' O ' ' HD3' ' A' ' 11' ' ' PRO . 0.9 OUTLIER -51.17 -26.44 6.83 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.207 -0.933 . . . . 0.58999999999999997 109.187 179.505 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.6 ' C ' ' H ' ' A' ' 12' ' ' CYS . 6.8 mmtt -94.4 100.45 5.12 Favored Pre-proline 0 C--N 1.295 -1.785 0 N-CA-C 106.715 -1.587 . . . . 2.2799999999999998 106.715 177.566 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.544 ' HD3' ' O ' ' A' ' 9' ' ' SER . 21.9 Cg_endo -58.81 22.77 0.03 OUTLIER 'Trans proline' 0 C--N 1.32 -0.955 0 C-N-CA 121.98 1.786 . . . . 0.46000000000000002 112.59 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.6 ' H ' ' C ' ' A' ' 10' ' ' LYS . 34.1 m -52.69 -33.68 48.7 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 106.363 -1.717 . . . . 0.28000000000000003 106.363 176.284 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.961 ' HB2' ' CE2' ' A' ' 7' ' ' PHE . . . -74.4 -33.91 63.14 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.438 -0.949 . . . . 0.29999999999999999 108.438 178.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 11' ' ' PRO . . . -48.59 -31.63 6.89 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 107.937 -1.134 . . . . 0.29999999999999999 107.937 178.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.531 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.5 OUTLIER -106.16 -32.0 8.43 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 108.052 -1.092 . . . . 0.33000000000000002 108.052 177.889 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.477 ' O ' ' O ' ' A' ' 13' ' ' ALA . 67.6 m-70 -89.6 -176.35 4.98 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.124 -0.985 . . . . 0.41999999999999998 109.694 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -160.05 -172.12 3.49 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.207 -0.933 . . . . 1.22 109.451 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.453 HG13 ' N ' ' A' ' 19' ' ' ASP . 14.4 p -125.57 -40.72 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.399 -0.813 . . . . 0.67000000000000004 109.258 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.453 ' N ' HG13 ' A' ' 18' ' ' VAL . 10.6 t0 -142.51 46.59 1.6 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.377 -0.827 . . . . 1.79 109.638 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.5 m -154.19 -50.21 0.09 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.224 -0.922 . . . . 1.3500000000000001 109.703 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.6 ttpp 67.45 135.43 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.371 -0.83 . . . . 3.8500000000000001 109.806 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 6.2 mtt -147.2 -58.31 0.27 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.438 -0.789 . . . . 2.3500000000000001 109.114 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.669 ' O ' HMD3 ' A' ' 83' ' ' HEC . 0.0 OUTLIER -111.4 -38.69 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.475 -0.766 . . . . 0.56000000000000005 109.042 179.378 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -125.85 171.19 17.69 Favored Glycine 0 N--CA 1.495 2.576 0 N-CA-C 108.449 -1.86 . . . . 0.29999999999999999 108.449 178.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.655 ' HG3' ' CD2' ' A' ' 56' ' ' TRP . 30.8 Cg_endo -76.07 138.81 20.96 Favored 'Trans proline' 0 C--N 1.311 -1.413 0 C-N-CA 121.731 1.621 . . . . 0.35999999999999999 110.415 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.544 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -53.67 151.64 5.93 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.533 -0.729 . . . . 0.55000000000000004 110.019 -179.405 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.681 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 4.2 mt -50.21 -23.25 2.11 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.692 -0.63 . . . . 1.1699999999999999 110.067 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -69.6 -52.12 28.99 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.216 -0.927 . . . . 3.1299999999999999 109.848 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -63.48 -39.37 94.26 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.19 -0.944 . . . . 1.95 109.04 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -73.27 -38.19 53.56 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 C-N-CA 120.039 -0.664 . . . . 0.56000000000000005 109.684 178.659 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.403 ' CB ' ' O ' ' A' ' 27' ' ' LEU . . . -69.64 -30.8 68.59 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.256 -0.903 . . . . 0.67000000000000004 109.143 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.57 -33.01 60.58 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.394 -0.816 . . . . 0.72999999999999998 109.261 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.489 ' HG3' ' CH2' ' A' ' 56' ' ' TRP . 4.0 mmtt -70.57 -39.44 73.89 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.41 -0.807 . . . . 2.6099999999999999 109.324 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.491 ' OD1' HD21 ' A' ' 44' ' ' LEU . 32.3 m120 -96.66 22.82 7.61 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.441 -0.787 . . . . 1.1200000000000001 109.953 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.66 -41.69 23.35 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.242 -0.911 . . . . 0.96999999999999997 109.313 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -77.45 -5.17 85.57 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.633 -1.387 . . . . 1.22 109.633 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.6 t -105.08 94.92 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.272 -1.134 . . . . 1.8 109.027 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -49.59 -25.83 3.09 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.595 -0.691 . . . . 2.9399999999999999 110.044 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.0 37.93 3.27 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.054 -1.618 . . . . 0.80000000000000004 109.054 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.442 ' O ' ' HG ' ' A' ' 44' ' ' LEU . . . -54.72 -58.58 6.98 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.48 -1.012 . . . . 0.88 110.014 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.539 ' HB2' ' HB1' ' A' ' 75' ' ' ALA . . . -46.92 -34.14 5.22 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.512 -0.743 . . . . 0.92000000000000004 110.134 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.505 ' O ' HD23 ' A' ' 46' ' ' LEU . 1.4 m-20 -66.42 -52.12 49.85 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.577 -0.897 . . . . 1.95 108.577 179.269 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.671 HG22 ' CE1' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -59.45 -46.42 88.82 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.487 -0.758 . . . . 0.75 109.779 179.736 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.491 HD21 ' OD1' ' A' ' 34' ' ' ASN . 9.5 mt -65.12 -29.05 69.87 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.251 -0.906 . . . . 0.96999999999999997 109.468 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.11 -59.42 3.47 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.386 -0.821 . . . . 0.55000000000000004 110.096 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.631 ' O ' ' HB2' ' A' ' 50' ' ' ASN . 0.3 OUTLIER -60.72 -22.01 63.53 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.118 -0.988 . . . . 0.79000000000000004 110.003 -179.387 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.671 ' CE1' HG22 ' A' ' 43' ' ' THR . 2.5 m-70 -77.01 -39.4 50.44 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.649 -1.282 . . . . 0.45000000000000001 109.752 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.796 HG23 ' HB2' ' A' ' 64' ' ' ASN . 1.1 mp -90.0 -59.44 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.038 -1.039 . . . . 0.32000000000000001 108.536 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.589 ' N ' HG22 ' A' ' 48' ' ' ILE . 1.7 tttt -56.08 -19.27 12.37 Favored 'General case' 0 C--N 1.296 -1.739 0 C-N-CA 120.543 -0.463 . . . . 1.8700000000000001 110.183 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.631 ' HB2' ' O ' ' A' ' 46' ' ' LEU . 2.6 m120 -136.04 41.26 2.66 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.939 -1.101 . . . . 1.1299999999999999 110.463 -179.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.428 ' HA2' ' HB3' ' A' ' 61' ' ' HIS . . . 54.56 173.37 0.08 OUTLIER Glycine 0 N--CA 1.497 2.735 0 N-CA-C 109.777 -1.329 . . . . 0.51000000000000001 109.777 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.485 ' O ' ' HA ' ' A' ' 60' ' ' PRO . 0.0 OUTLIER -176.27 139.61 0.36 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.954 -1.321 . . . . 1.53 109.649 -179.821 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -165.01 178.17 7.27 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.486 -0.759 . . . . 3.73 109.719 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.99 17.39 77.03 Favored Glycine 0 N--CA 1.495 2.574 0 N-CA-C 109.985 -1.246 . . . . 0.75 109.985 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.551 HG21 ' O1A' ' A' ' 83' ' ' HEC . 0.0 OUTLIER -120.48 -74.85 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.341 -1.094 . . . . 0.64000000000000001 109.314 -179.676 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.739 ' HE1' ' CGA' ' A' ' 83' ' ' HEC . 65.5 m95 -86.91 2.21 50.03 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.898 -0.501 . . . . 0.68000000000000005 110.002 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.407 ' O ' ' O2D' ' A' ' 83' ' ' HEC . . . 153.91 -178.69 30.68 Favored Glycine 0 N--CA 1.493 2.484 0 N-CA-C 109.703 -1.359 . . . . 0.79000000000000004 109.703 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -80.09 -0.26 10.54 Favored 'Trans proline' 0 C--N 1.311 -1.404 0 C-N-CA 122.544 2.162 . . . . 1.46 111.038 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.492 ' O ' HBD2 ' A' ' 83' ' ' HEC . 57.9 mt -89.02 116.6 66.75 Favored Pre-proline 0 N--CA 1.493 1.709 0 O-C-N 121.119 -0.988 . . . . 1.8600000000000001 109.91 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.485 ' HA ' ' O ' ' A' ' 52' ' ' SER . 36.7 Cg_endo -79.18 179.22 6.64 Favored 'Trans proline' 0 C--N 1.315 -1.227 0 C-N-CA 122.55 2.166 . . . . 0.70999999999999996 111.491 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.787 ' ND1' ' HD2' ' A' ' 62' ' ' PRO . 2.1 t-80 -112.37 145.45 32.9 Favored Pre-proline 0 C--N 1.285 -2.207 0 CA-C-N 114.339 -1.301 . . . . 0.29999999999999999 112.011 -176.106 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.787 ' HD2' ' ND1' ' A' ' 61' ' ' HIS . 37.1 Cg_endo -70.91 173.78 11.48 Favored 'Trans proline' 0 C--N 1.318 -1.072 0 C-N-CA 121.738 1.625 . . . . 0.31 110.191 178.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -80.33 101.22 1.31 Allowed 'Trans proline' 0 C--N 1.31 -1.494 0 C-N-CA 122.171 1.914 . . . . 0.45000000000000001 108.052 178.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.796 ' HB2' HG23 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -118.2 82.73 18.64 Favored Pre-proline 0 N--CA 1.494 1.77 0 O-C-N 121.383 -0.823 . . . . 2.25 109.23 -177.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -77.54 122.07 5.85 Favored 'Trans proline' 0 C--N 1.314 -1.281 0 C-N-CA 122.393 2.062 . . . . 1.7 110.648 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.442 ' CG2' ' N ' ' A' ' 67' ' ' THR . 0.4 OUTLIER -127.41 160.42 36.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.449 -0.782 . . . . 1.8300000000000001 108.969 179.725 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.442 ' N ' ' CG2' ' A' ' 66' ' ' VAL . 10.3 p -79.96 143.88 33.79 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.628 -0.67 . . . . 1.3400000000000001 109.286 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -51.48 -29.1 15.28 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.39 -0.819 . . . . 2.9300000000000002 109.837 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -69.8 -49.97 47.51 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.303 -0.873 . . . . 2.3799999999999999 109.084 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -71.61 -39.85 70.19 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.447 -0.783 . . . . 2.29 109.394 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.51 -33.95 76.72 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.339 -0.85 . . . . 0.93000000000000005 109.285 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.4 mttm -71.13 -46.98 60.52 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.393 -0.817 . . . . 2.6699999999999999 109.263 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 48.3 mm -66.71 -46.53 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.327 -0.858 . . . . 1.7 109.292 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.761 ' O ' HG13 ' A' ' 78' ' ' VAL . 3.8 mt -63.55 -27.88 69.56 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.462 -0.774 . . . . 1.46 109.13 179.503 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.632 ' HA ' ' CG2' ' A' ' 78' ' ' VAL . . . -79.64 -23.43 42.57 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.339 -0.85 . . . . 0.92000000000000004 109.241 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -80.46 -43.37 21.0 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.299 -0.875 . . . . 1.71 108.925 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 82.6 t90 -68.35 -36.16 78.82 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.313 -0.867 . . . . 0.71999999999999997 108.752 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.761 HG13 ' O ' ' A' ' 74' ' ' LEU . 26.9 m -68.67 -45.69 80.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.204 -0.935 . . . . 0.96999999999999997 110.254 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.737 HD12 ' N ' ' A' ' 80' ' ' SER . 4.7 pp -74.51 -29.19 61.31 Favored 'General case' 0 N--CA 1.486 1.325 0 O-C-N 120.947 -1.095 . . . . 1.98 109.588 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.737 ' N ' HD12 ' A' ' 79' ' ' LEU . 4.6 t -83.9 -36.0 23.67 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.401 -0.812 . . . . 1.8100000000000001 109.546 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.9 mt 50.35 -88.95 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.57 -0.706 . . . . 2.2000000000000002 110.307 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 80' ' ' SER . 6.1 tptm . . . . . 0 N--CA 1.491 1.609 0 O-C-N 121.07 -1.019 . . . . 5.8200000000000003 109.46 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' HEC . . . . . 0.772 ' C4A' HD11 ' A' ' 48' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 109.671 -0.492 . . . . 5.82 109.671 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.91 -17.53 59.73 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.259 -0.901 . . . . 3.32 109.763 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.6 -53.3 47.16 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.613 -1.395 . . . . 0.97 109.613 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -66.97 -39.73 87.29 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.358 -1.083 . . . . 1.67 109.361 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.78 -40.34 97.01 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.452 -0.78 . . . . 0.72 109.421 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.445 ' HB3' ' HG ' ' A' ' 74' ' ' LEU . 40.5 mt -64.82 -46.94 79.86 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.361 -0.837 . . . . 0.8 109.43 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.961 ' CE2' ' HB2' ' A' ' 13' ' ' ALA . 19.0 t80 -64.91 -17.13 64.07 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 121.312 -0.867 . . . . 1.23 109.048 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.4 mmtt -79.71 -71.04 0.47 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.414 -0.804 . . . . 2.39 109.49 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.544 ' O ' ' HD3' ' A' ' 11' ' ' PRO . 0.9 OUTLIER -51.17 -26.44 6.83 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.207 -0.933 . . . . 0.59 109.187 179.505 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.6 ' C ' ' H ' ' A' ' 12' ' ' CYS . 6.8 mmtt -94.4 100.45 5.12 Favored Pre-proline 0 C--N 1.295 -1.785 0 N-CA-C 106.715 -1.587 . . . . 2.28 106.715 177.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.544 ' HD3' ' O ' ' A' ' 9' ' ' SER . 21.9 Cg_endo -58.81 22.77 0.03 OUTLIER 'Trans proline' 0 C--N 1.32 -0.955 0 C-N-CA 121.98 1.786 . . . . 0.46 112.59 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.6 ' H ' ' C ' ' A' ' 10' ' ' LYS . 34.1 m -52.69 -33.68 48.7 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 106.363 -1.717 . . . . 0.28 106.363 176.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.961 ' HB2' ' CE2' ' A' ' 7' ' ' PHE . . . -74.4 -33.91 63.14 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.438 -0.949 . . . . 0.3 108.438 178.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 11' ' ' PRO . . . -48.59 -31.63 6.89 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 107.937 -1.134 . . . . 0.3 107.937 178.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.531 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.5 OUTLIER -106.16 -32.0 8.43 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 108.052 -1.092 . . . . 0.33 108.052 177.889 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.477 ' O ' ' O ' ' A' ' 13' ' ' ALA . 67.6 m-70 -89.6 -176.35 4.98 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.124 -0.985 . . . . 0.42 109.694 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -160.05 -172.12 3.49 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.207 -0.933 . . . . 1.22 109.451 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.453 HG13 ' N ' ' A' ' 19' ' ' ASP . 14.4 p -125.57 -40.72 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.399 -0.813 . . . . 0.67 109.258 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.453 ' N ' HG13 ' A' ' 18' ' ' VAL . 10.6 t0 -142.51 46.59 1.6 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.377 -0.827 . . . . 1.79 109.638 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.5 m -154.19 -50.21 0.09 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.224 -0.922 . . . . 1.35 109.703 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.6 ttpp 67.45 135.43 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.371 -0.83 . . . . 3.85 109.806 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 6.2 mtt -147.2 -58.31 0.27 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.438 -0.789 . . . . 2.35 109.114 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.669 ' O ' HMD3 ' A' ' 83' ' ' HEC . 0.0 OUTLIER -111.4 -38.69 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.475 -0.766 . . . . 0.56 109.042 179.378 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -125.85 171.19 17.69 Favored Glycine 0 N--CA 1.495 2.576 0 N-CA-C 108.449 -1.86 . . . . 0.3 108.449 178.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.655 ' HG3' ' CD2' ' A' ' 56' ' ' TRP . 30.8 Cg_endo -76.07 138.81 20.96 Favored 'Trans proline' 0 C--N 1.311 -1.413 0 C-N-CA 121.731 1.621 . . . . 0.36 110.415 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.544 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -53.67 151.64 5.93 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.533 -0.729 . . . . 0.55 110.019 -179.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.681 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 4.2 mt -50.21 -23.25 2.11 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.692 -0.63 . . . . 1.17 110.067 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -69.6 -52.12 28.99 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.216 -0.927 . . . . 3.13 109.848 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -63.48 -39.37 94.26 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.19 -0.944 . . . . 1.95 109.04 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -73.27 -38.19 53.56 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 C-N-CA 120.039 -0.664 . . . . 0.56 109.684 178.659 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.403 ' CB ' ' O ' ' A' ' 27' ' ' LEU . . . -69.64 -30.8 68.59 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.256 -0.903 . . . . 0.67 109.143 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.57 -33.01 60.58 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.394 -0.816 . . . . 0.73 109.261 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.489 ' HG3' ' CH2' ' A' ' 56' ' ' TRP . 4.0 mmtt -70.57 -39.44 73.89 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.41 -0.807 . . . . 2.61 109.324 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.635 ' ND2' HD21 ' A' ' 44' ' ' LEU . 64.1 m-80 -96.66 22.82 7.61 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.441 -0.787 . . . . 1.12 109.953 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.66 -41.69 23.35 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.242 -0.911 . . . . 0.97 109.313 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -77.45 -5.17 85.57 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.633 -1.387 . . . . 1.22 109.633 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.6 t -105.08 94.92 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.272 -1.134 . . . . 1.8 109.027 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -49.59 -25.83 3.09 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.595 -0.691 . . . . 2.94 110.044 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.0 37.93 3.27 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.054 -1.618 . . . . 0.8 109.054 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.442 ' O ' ' HG ' ' A' ' 44' ' ' LEU . . . -54.72 -58.58 6.98 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.48 -1.012 . . . . 0.88 110.014 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.539 ' HB2' ' HB1' ' A' ' 75' ' ' ALA . . . -46.92 -34.14 5.22 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.512 -0.743 . . . . 0.92 110.134 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.505 ' O ' HD23 ' A' ' 46' ' ' LEU . 1.4 m-20 -66.42 -52.12 49.85 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.577 -0.897 . . . . 1.95 108.577 179.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.849 HG22 ' CE1' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -59.45 -46.42 88.82 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.487 -0.758 . . . . 0.75 109.779 179.736 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.635 HD21 ' ND2' ' A' ' 34' ' ' ASN . 9.5 mt -65.12 -29.05 69.87 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.251 -0.906 . . . . 0.97 109.468 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.11 -59.42 3.47 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.386 -0.821 . . . . 0.55 110.096 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.631 ' O ' ' HB2' ' A' ' 50' ' ' ASN . 0.3 OUTLIER -60.72 -22.01 63.53 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.118 -0.988 . . . . 0.79 110.003 -179.387 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.849 ' CE1' HG22 ' A' ' 43' ' ' THR . 40.5 m170 -77.01 -39.4 50.44 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.649 -1.282 . . . . 0.45 109.752 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.796 HG23 ' HB2' ' A' ' 64' ' ' ASN . 1.1 mp -90.0 -59.44 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.038 -1.039 . . . . 0.32 108.536 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.589 ' N ' HG22 ' A' ' 48' ' ' ILE . 1.7 tttt -56.08 -19.27 12.37 Favored 'General case' 0 C--N 1.296 -1.739 0 C-N-CA 120.543 -0.463 . . . . 1.87 110.183 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.631 ' HB2' ' O ' ' A' ' 46' ' ' LEU . 2.6 m120 -136.04 41.26 2.66 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.939 -1.101 . . . . 1.13 110.463 -179.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.428 ' HA2' ' HB3' ' A' ' 61' ' ' HIS . . . 54.56 173.37 0.08 OUTLIER Glycine 0 N--CA 1.497 2.735 0 N-CA-C 109.777 -1.329 . . . . 0.51 109.777 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.485 ' O ' ' HA ' ' A' ' 60' ' ' PRO . 0.0 OUTLIER -176.27 139.61 0.36 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.954 -1.321 . . . . 1.53 109.649 -179.821 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -165.01 178.17 7.27 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.486 -0.759 . . . . 3.73 109.719 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.99 17.39 77.03 Favored Glycine 0 N--CA 1.495 2.574 0 N-CA-C 109.985 -1.246 . . . . 0.75 109.985 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.551 HG21 ' O1A' ' A' ' 83' ' ' HEC . 0.0 OUTLIER -120.48 -74.85 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.341 -1.094 . . . . 0.64 109.314 -179.676 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.739 ' HE1' ' CGA' ' A' ' 83' ' ' HEC . 65.5 m95 -86.91 2.21 50.03 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.898 -0.501 . . . . 0.68 110.002 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.407 ' O ' ' O2D' ' A' ' 83' ' ' HEC . . . 153.91 -178.69 30.68 Favored Glycine 0 N--CA 1.493 2.484 0 N-CA-C 109.703 -1.359 . . . . 0.79 109.703 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -80.09 -0.26 10.54 Favored 'Trans proline' 0 C--N 1.311 -1.404 0 C-N-CA 122.544 2.162 . . . . 1.46 111.038 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.492 ' O ' HBD2 ' A' ' 83' ' ' HEC . 57.9 mt -89.02 116.6 66.75 Favored Pre-proline 0 N--CA 1.493 1.709 0 O-C-N 121.119 -0.988 . . . . 1.86 109.91 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.485 ' HA ' ' O ' ' A' ' 52' ' ' SER . 36.7 Cg_endo -79.18 179.22 6.64 Favored 'Trans proline' 0 C--N 1.315 -1.227 0 C-N-CA 122.55 2.166 . . . . 0.71 111.491 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.787 ' ND1' ' HD2' ' A' ' 62' ' ' PRO . 2.1 t-80 -112.37 145.45 32.9 Favored Pre-proline 0 C--N 1.285 -2.207 0 CA-C-N 114.339 -1.301 . . . . 0.3 112.011 -176.106 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.787 ' HD2' ' ND1' ' A' ' 61' ' ' HIS . 37.1 Cg_endo -70.91 173.78 11.48 Favored 'Trans proline' 0 C--N 1.318 -1.072 0 C-N-CA 121.738 1.625 . . . . 0.31 110.191 178.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -80.33 101.22 1.31 Allowed 'Trans proline' 0 C--N 1.31 -1.494 0 C-N-CA 122.171 1.914 . . . . 0.45 108.052 178.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.796 ' HB2' HG23 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -118.2 82.73 18.64 Favored Pre-proline 0 N--CA 1.494 1.77 0 O-C-N 121.383 -0.823 . . . . 2.25 109.23 -177.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -77.54 122.07 5.85 Favored 'Trans proline' 0 C--N 1.314 -1.281 0 C-N-CA 122.393 2.062 . . . . 1.7 110.648 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.442 ' CG2' ' N ' ' A' ' 67' ' ' THR . 0.4 OUTLIER -127.41 160.42 36.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.449 -0.782 . . . . 1.83 108.969 179.725 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.442 ' N ' ' CG2' ' A' ' 66' ' ' VAL . 10.3 p -79.96 143.88 33.79 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.628 -0.67 . . . . 1.34 109.286 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -51.48 -29.1 15.28 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.39 -0.819 . . . . 2.93 109.837 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -69.8 -49.97 47.51 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.303 -0.873 . . . . 2.38 109.084 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -71.61 -39.85 70.19 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.447 -0.783 . . . . 2.29 109.394 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.51 -33.95 76.72 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.339 -0.85 . . . . 0.93 109.285 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.4 mttm -71.13 -46.98 60.52 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.393 -0.817 . . . . 2.67 109.263 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 48.3 mm -66.71 -46.53 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.327 -0.858 . . . . 1.7 109.292 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.761 ' O ' HG13 ' A' ' 78' ' ' VAL . 3.8 mt -63.55 -27.88 69.56 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.462 -0.774 . . . . 1.46 109.13 179.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.632 ' HA ' ' CG2' ' A' ' 78' ' ' VAL . . . -79.64 -23.43 42.57 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.339 -0.85 . . . . 0.92 109.241 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -80.46 -43.37 21.0 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.299 -0.875 . . . . 1.71 108.925 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 82.6 t90 -68.35 -36.16 78.82 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.313 -0.867 . . . . 0.72 108.752 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.761 HG13 ' O ' ' A' ' 74' ' ' LEU . 26.9 m -68.67 -45.69 80.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.204 -0.935 . . . . 0.97 110.254 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.737 HD12 ' N ' ' A' ' 80' ' ' SER . 4.7 pp -74.51 -29.19 61.31 Favored 'General case' 0 N--CA 1.486 1.325 0 O-C-N 120.947 -1.095 . . . . 1.98 109.588 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.737 ' N ' HD12 ' A' ' 79' ' ' LEU . 4.6 t -83.9 -36.0 23.67 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.401 -0.812 . . . . 1.81 109.546 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.9 mt 50.35 -88.95 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.57 -0.706 . . . . 2.2 110.307 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 80' ' ' SER . 6.1 tptm . . . . . 0 N--CA 1.491 1.609 0 O-C-N 121.07 -1.019 . . . . 5.82 109.46 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' HEC . . . . . 0.772 ' C4A' HD11 ' A' ' 48' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_