data_1foy_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 1foy _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' ' ' MET . . . . . 0.449 ' CG ' HG23 ' A' ' 5' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.315 0.579 . . . . 15.27 109.469 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -114.19 12.26 17.71 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.169 -0.957 . . . . 11.99 109.519 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.555 ' O ' ' CD2' ' A' ' 3' ' ' PHE . 9.6 p90 -111.86 99.58 8.23 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.258 -0.901 . . . . 11.390000000000001 109.432 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.426 ' O ' HG21 ' A' ' 4' ' ' ILE . 19.7 mt 46.63 28.71 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.293 -0.88 . . . . 8.1699999999999999 109.498 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.449 HG23 ' CG ' ' A' ' 1' ' ' MET . 2.0 m -122.93 26.74 8.0 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.274 -0.891 . . . . 5.3200000000000003 109.464 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.48 133.99 24.25 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.23 -0.919 . . . . 4.8600000000000003 109.456 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.536 HG23 ' CB ' ' A' ' 47' ' ' LYS . 0.5 OUTLIER -76.93 171.06 13.39 Favored Pre-proline 0 N--CA 1.489 1.524 0 O-C-N 121.272 -0.893 . . . . 2.3300000000000001 109.096 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.514 ' HD2' ' OG1' ' A' ' 7' ' ' THR . 35.3 Cg_endo -80.64 175.49 10.03 Favored 'Trans proline' 0 C--N 1.308 -1.566 0 C-N-CA 122.739 2.292 . . . . 0.67000000000000004 109.834 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.52 ' HG2' ' CG2' ' A' ' 12' ' ' VAL . 32.7 Cg_endo -74.7 151.82 41.57 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.266 1.977 . . . . 0.77000000000000002 110.387 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.497 ' CB ' HD11 ' A' ' 63' ' ' ILE . . . -41.0 -69.23 0.14 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.45 -0.781 . . . . 1.5700000000000001 110.223 -179.295 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.524 ' CB ' HG23 ' A' ' 66' ' ' THR . . . -43.2 -70.46 0.11 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.21 -0.931 . . . . 1.23 110.025 -179.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.52 ' CG2' ' HG2' ' A' ' 9' ' ' PRO . 52.2 t -42.58 -61.62 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.268 -0.895 . . . . 1.26 109.733 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.527 ' CD2' HG12 ' A' ' 43' ' ' ILE . 6.6 tt -52.06 -40.96 61.94 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.111 -0.993 . . . . 1.78 109.459 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.514 HD22 ' CD1' ' A' ' 43' ' ' ILE . 15.1 mt -69.2 -62.91 1.19 Allowed 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.513 -0.742 . . . . 2.0 109.27 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.546 ' O ' ' CA ' ' A' ' 19' ' ' GLY . 0.2 OUTLIER -55.8 -29.88 60.45 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.253 -0.905 . . . . 2.6200000000000001 108.81 179.658 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 12' ' ' VAL . 24.4 tttt -73.02 -74.66 0.16 Allowed 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.149 -0.969 . . . . 3.5499999999999998 109.504 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.08 -59.32 4.95 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 121.744 -0.597 . . . . 1.54 110.285 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.546 ' CB ' ' CD1' ' A' ' 35' ' ' ILE . . . -75.49 -34.57 60.87 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.146 -0.971 . . . . 1.51 110.249 -179.195 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.546 ' CA ' ' O ' ' A' ' 15' ' ' LYS . . . -86.61 19.3 29.37 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.782 -1.327 . . . . 1.8100000000000001 109.782 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.519 ' CG1' ' O ' ' A' ' 19' ' ' GLY . 15.3 pt 43.78 -169.83 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.352 -1.087 . . . . 2.8199999999999998 109.908 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.523 ' O ' ' CB ' ' A' ' 22' ' ' SER . 4.2 pt-20 -59.84 -51.43 69.74 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.302 -0.874 . . . . 5.5099999999999998 109.905 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 1.0 OUTLIER 163.53 52.64 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.185 -0.947 . . . . 4.1699999999999999 109.393 -179.799 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 22' ' ' SER . . . -42.83 -27.0 0.51 Allowed Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.725 -1.35 . . . . 3.3399999999999999 109.725 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.52 ' OG ' ' CG1' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -91.26 -78.51 0.39 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.159 -1.2 . . . . 3.5800000000000001 109.805 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.16 -40.53 3.07 Favored Glycine 0 N--CA 1.487 2.061 0 N-CA-C 108.509 -1.837 . . . . 5.8200000000000003 108.509 -178.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.529 ' N ' ' HD3' ' A' ' 27' ' ' PRO . 1.7 tm-20 -143.09 60.65 9.35 Favored Pre-proline 0 N--CA 1.486 1.365 0 O-C-N 121.525 -0.985 . . . . 7.7699999999999996 108.342 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.529 ' HD3' ' N ' ' A' ' 26' ' ' GLU . 35.0 Cg_endo -76.33 -162.06 0.15 Allowed 'Trans proline' 0 C--N 1.31 -1.448 0 C-N-CA 122.592 2.195 . . . . 4.6200000000000001 110.737 -179.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -163.14 -58.15 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.361 -0.837 . . . . 5.8799999999999999 109.313 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.525 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 2.7 mmt85 -72.22 -12.01 60.98 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.29 -0.881 . . . . 7.4299999999999997 109.328 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.525 ' CB ' ' O ' ' A' ' 29' ' ' ARG . 2.9 m-20 76.34 167.65 0.26 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.325 -0.859 . . . . 4.3799999999999999 109.533 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.527 ' HA ' ' CA ' ' A' ' 71' ' ' GLY . 0.2 OUTLIER 76.94 94.51 0.07 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.335 -0.853 . . . . 3.46 109.573 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.52 ' CG1' ' OG ' ' A' ' 24' ' ' SER . 16.8 m -121.61 6.87 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.226 -0.921 . . . . 1.8700000000000001 109.579 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -160.19 121.55 3.12 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.222 -0.924 . . . . 1.45 109.65 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.448 ' HA ' ' HB ' ' A' ' 73' ' ' VAL . 0.2 OUTLIER -103.53 96.93 7.06 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.225 -0.922 . . . . 1.4299999999999999 109.271 179.737 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.546 ' CD1' ' CB ' ' A' ' 18' ' ' ALA . 5.7 pt -100.33 154.66 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.312 -0.867 . . . . 1.4399999999999999 109.488 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -83.81 -179.9 7.4 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.1 -1.0 . . . . 3.0600000000000001 108.699 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.54 ' O ' ' CB ' ' A' ' 41' ' ' ARG . 49.3 ttp180 -58.8 -16.76 18.49 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.027 -1.046 . . . . 3.9399999999999999 109.349 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.16 -31.01 68.6 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.574 -0.704 . . . . 2.1699999999999999 110.062 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.539 ' CB ' ' CD1' ' A' ' 35' ' ' ILE . 5.0 mmtt -81.18 -57.26 3.59 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.088 -1.008 . . . . 2.8399999999999999 109.866 -179.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.45 HG12 HG23 ' A' ' 63' ' ' ILE . 42.2 t -65.83 -14.33 17.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 N-CA-C 107.725 -1.213 . . . . 1.22 107.725 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.54 ' CB ' ' O ' ' A' ' 37' ' ' ARG . 2.3 ttt180 -72.89 -59.91 2.48 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.417 -0.957 . . . . 3.54 108.417 178.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 45' ' ' GLU . 9.8 mm-40 -63.13 -54.52 36.44 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.451 -0.944 . . . . 2.0600000000000001 108.451 179.072 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.527 HG12 ' CD2' ' A' ' 13' ' ' LEU . 11.0 mt -42.66 -52.25 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 N-CA-C 109.311 -0.626 . . . . 1.79 109.311 179.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.522 ' O ' ' CB ' ' A' ' 48' ' ' MET . . . -61.27 -36.61 80.5 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.229 -0.919 . . . . 1.1599999999999999 108.911 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 42' ' ' GLU . 0.1 OUTLIER -61.02 -45.66 93.91 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.316 -0.865 . . . . 2.25 109.496 179.737 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.495 ' O ' ' HD2' ' A' ' 49' ' ' PRO . 8.2 mt -65.59 -57.1 8.97 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.49 -0.756 . . . . 2.3399999999999999 109.422 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.536 ' CB ' HG23 ' A' ' 7' ' ' THR . 0.7 OUTLIER -77.83 5.73 8.98 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.38 -0.825 . . . . 3.8999999999999999 110.127 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.543 ' CB ' ' HD3' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -70.68 -57.26 5.45 Favored Pre-proline 0 N--CA 1.495 1.775 0 O-C-N 120.88 -1.137 . . . . 1.9299999999999999 110.198 -179.302 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.543 ' HD3' ' CB ' ' A' ' 48' ' ' MET . 32.4 Cg_endo -73.03 66.82 4.13 Favored 'Trans proline' 0 C--N 1.309 -1.517 0 C-N-CA 122.265 1.977 . . . . 1.8799999999999999 109.992 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 49' ' ' PRO . 0.3 OUTLIER 160.95 -24.4 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.812 -0.81 . . . . 3.25 108.812 -179.717 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.526 ' HG ' ' N ' ' A' ' 52' ' ' ASN . 52.3 tp -85.32 164.86 17.73 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.409 -0.807 . . . . 2.8300000000000001 109.409 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.526 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 14.9 t30 -86.19 14.16 6.84 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.248 -0.907 . . . . 3.8599999999999999 109.413 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 52' ' ' ASN . . . -43.9 161.49 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.228 -0.92 . . . . 1.53 109.508 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.52 ' O ' ' CB ' ' A' ' 55' ' ' SER . . . -112.79 -3.56 14.17 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.22 -0.925 . . . . 2.0299999999999998 109.516 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 54' ' ' ALA . 0.4 OUTLIER 163.79 163.67 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.169 -0.957 . . . . 2.1200000000000001 109.341 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.422 ' C ' ' O ' ' A' ' 55' ' ' SER . 38.7 mm -43.75 -73.79 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.228 -0.92 . . . . 1.71 109.415 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -52.47 -29.93 27.29 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.239 -0.913 . . . . 2.6899999999999999 109.403 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.499 ' HB1' ' N ' ' A' ' 55' ' ' SER . . . -67.17 -43.58 81.89 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.289 -0.882 . . . . 1.45 109.436 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.47 ' O ' ' HB ' ' A' ' 63' ' ' ILE . . . -60.13 -46.55 89.26 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.205 -0.934 . . . . 1.22 109.296 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.475 ' HA ' ' HB ' ' A' ' 63' ' ' ILE . 1.7 ttm -59.58 -34.19 72.41 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.634 -0.666 . . . . 2.25 109.218 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -59.1 -63.45 1.3 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.303 -0.873 . . . . 4.0300000000000002 108.964 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.453 ' O ' ' OG1' ' A' ' 66' ' ' THR . 0.0 OUTLIER -69.96 -31.35 69.03 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.337 -0.852 . . . . 1.9299999999999999 109.153 179.58 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.497 HD11 ' CB ' ' A' ' 10' ' ' ALA . 13.6 mm -66.95 -46.76 84.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.353 -0.842 . . . . 1.28 109.315 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 65' ' ' GLY . 8.5 tt0 -62.42 -63.18 1.31 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.247 -0.908 . . . . 2.1000000000000001 109.508 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 64' ' ' GLU . . . -43.73 -43.34 6.54 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.476 -1.45 . . . . 0.55000000000000004 109.476 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.524 HG23 ' CB ' ' A' ' 11' ' ' ALA . 36.2 m -60.97 -41.49 96.5 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.247 -1.149 . . . . 1.2 109.391 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.536 ' CB ' ' HB ' ' A' ' 72' ' ' ILE . . . -54.84 -38.66 67.71 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.267 -0.895 . . . . 1.1699999999999999 109.464 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -60.87 -12.07 9.87 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.328 -0.858 . . . . 4.3200000000000003 109.856 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.85 -21.62 60.05 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.097 -1.002 . . . . 2.0499999999999998 109.133 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.8 mmt -120.93 -77.55 0.58 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.305 -0.872 . . . . 2.1499999999999999 109.027 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.527 ' CA ' ' HA ' ' A' ' 31' ' ' LYS . . . 176.94 29.93 0.04 OUTLIER Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.896 -1.282 . . . . 1.1100000000000001 109.896 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.536 ' HB ' ' CB ' ' A' ' 67' ' ' ALA . 4.2 mp -91.57 76.57 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.206 -1.173 . . . . 1.48 109.373 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.448 ' HB ' ' HA ' ' A' ' 34' ' ' THR . 57.8 t -62.15 162.65 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.181 -0.95 . . . . 1.21 109.591 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.494 ' HA ' ' O ' ' A' ' 35' ' ' ILE . 1.5 t -144.49 114.33 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.5 -0.75 . . . . 1.27 109.48 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -108.72 150.55 27.42 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.329 -0.857 . . . . 2.4100000000000001 109.463 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 118.003 -0.998 . . . . 3.0299999999999998 109.48 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.315 0.579 . . . . 14.97 109.469 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -114.19 12.26 17.71 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.169 -0.957 . . . . 11.69 109.519 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.555 ' O ' ' CD2' ' A' ' 3' ' ' PHE . 9.6 p90 -111.86 99.58 8.23 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.258 -0.901 . . . . 10.72 109.432 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.431 ' O ' HG22 ' A' ' 4' ' ' ILE . 19.7 mt 46.63 28.71 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.293 -0.88 . . . . 7.84 109.498 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 m -122.93 26.74 8.0 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.274 -0.891 . . . . 4.93 109.464 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.48 133.99 24.25 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.23 -0.919 . . . . 4.53 109.456 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.747 HG21 ' HB2' ' A' ' 47' ' ' LYS . 0.5 OUTLIER -76.93 171.06 13.39 Favored Pre-proline 0 N--CA 1.489 1.524 0 O-C-N 121.272 -0.893 . . . . 1.76 109.096 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.746 ' HD2' HD12 ' A' ' 13' ' ' LEU . 35.3 Cg_endo -80.64 175.49 10.03 Favored 'Trans proline' 0 C--N 1.308 -1.566 0 C-N-CA 122.739 2.292 . . . . 0.59 109.834 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.539 ' HG2' ' CG2' ' A' ' 12' ' ' VAL . 32.7 Cg_endo -74.7 151.82 41.57 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.266 1.977 . . . . 0.72 110.387 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.7 ' CB ' HD13 ' A' ' 63' ' ' ILE . . . -41.0 -69.23 0.14 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.45 -0.781 . . . . 0.92 110.223 -179.295 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.85 ' HB2' HG22 ' A' ' 66' ' ' THR . . . -43.2 -70.46 0.11 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.21 -0.931 . . . . 0.52 110.025 -179.453 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.539 ' CG2' ' HG2' ' A' ' 9' ' ' PRO . 52.2 t -42.58 -61.62 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.268 -0.895 . . . . 0.63 109.733 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.996 HD22 HG23 ' A' ' 43' ' ' ILE . 6.6 tt -52.06 -40.96 61.94 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.111 -0.993 . . . . 1.24 109.459 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.526 HD23 ' CD1' ' A' ' 43' ' ' ILE . 15.1 mt -69.2 -62.91 1.19 Allowed 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.513 -0.742 . . . . 1.4 109.27 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.916 ' CA ' HD11 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -55.8 -29.88 60.45 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.253 -0.905 . . . . 2.19 108.81 179.658 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 12' ' ' VAL . 24.4 tttt -73.02 -74.66 0.16 Allowed 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.149 -0.969 . . . . 3.19 109.504 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.08 -59.32 4.95 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 121.744 -0.597 . . . . 0.95 110.285 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.859 ' HB1' HD13 ' A' ' 35' ' ' ILE . . . -75.49 -34.57 60.87 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.146 -0.971 . . . . 1.51 110.249 -179.195 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.546 ' CA ' ' O ' ' A' ' 15' ' ' LYS . . . -86.61 19.3 29.37 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.782 -1.327 . . . . 1.29 109.782 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.665 HD11 ' H ' ' A' ' 23' ' ' GLY . 15.3 pt 43.78 -169.83 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.352 -1.087 . . . . 2.37 109.908 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.523 ' O ' ' CB ' ' A' ' 22' ' ' SER . 4.2 pt-20 -59.84 -51.43 69.74 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.302 -0.874 . . . . 5.51 109.905 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 1.0 OUTLIER 163.53 52.64 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.185 -0.947 . . . . 3.96 109.393 -179.799 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.665 ' H ' HD11 ' A' ' 20' ' ' ILE . . . -42.83 -27.0 0.51 Allowed Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.725 -1.35 . . . . 2.8 109.725 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.991 ' OG ' HG11 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -91.26 -78.51 0.39 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.159 -1.2 . . . . 3.58 109.805 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.16 -40.53 3.07 Favored Glycine 0 N--CA 1.487 2.061 0 N-CA-C 108.509 -1.837 . . . . 5.82 108.509 -178.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.538 ' N ' ' HD3' ' A' ' 27' ' ' PRO . 1.7 tm-20 -143.09 60.65 9.35 Favored Pre-proline 0 N--CA 1.486 1.365 0 O-C-N 121.525 -0.985 . . . . 7.77 108.342 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.538 ' HD3' ' N ' ' A' ' 26' ' ' GLU . 35.0 Cg_endo -76.33 -162.06 0.15 Allowed 'Trans proline' 0 C--N 1.31 -1.448 0 C-N-CA 122.592 2.195 . . . . 4.12 110.737 -179.297 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -163.14 -58.15 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.361 -0.837 . . . . 5.33 109.313 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.525 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 2.7 mmt85 -72.22 -12.01 60.98 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.29 -0.881 . . . . 6.79 109.328 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.525 ' CB ' ' O ' ' A' ' 29' ' ' ARG . 2.9 m-20 76.34 167.65 0.26 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.325 -0.859 . . . . 3.78 109.533 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.534 ' HA ' ' CA ' ' A' ' 71' ' ' GLY . 0.2 OUTLIER 76.94 94.51 0.07 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.335 -0.853 . . . . 3.1 109.573 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.991 HG11 ' OG ' ' A' ' 24' ' ' SER . 16.8 m -121.61 6.87 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.226 -0.921 . . . . 1.48 109.579 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -160.19 121.55 3.12 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.222 -0.924 . . . . 0.79 109.65 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.495 HG23 ' HB ' ' A' ' 73' ' ' VAL . 0.2 OUTLIER -103.53 96.93 7.06 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.225 -0.922 . . . . 0.81 109.271 179.737 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.924 HD12 ' CB ' ' A' ' 39' ' ' LYS . 5.7 pt -100.33 154.66 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.312 -0.867 . . . . 0.73 109.488 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -83.81 -179.9 7.4 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.1 -1.0 . . . . 2.56 108.699 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.54 ' O ' ' CB ' ' A' ' 41' ' ' ARG . 49.3 ttp180 -58.8 -16.76 18.49 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.027 -1.046 . . . . 3.32 109.349 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.16 -31.01 68.6 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.574 -0.704 . . . . 2.17 110.062 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.924 ' CB ' HD12 ' A' ' 35' ' ' ILE . 5.0 mmtt -81.18 -57.26 3.59 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.088 -1.008 . . . . 2.32 109.866 -179.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.98 HG13 HG21 ' A' ' 63' ' ' ILE . 42.2 t -65.83 -14.33 17.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 N-CA-C 107.725 -1.213 . . . . 0.54 107.725 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.54 ' CB ' ' O ' ' A' ' 37' ' ' ARG . 2.3 ttt180 -72.89 -59.91 2.48 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.417 -0.957 . . . . 2.9 108.417 178.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 45' ' ' GLU . 9.8 mm-40 -63.13 -54.52 36.44 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.451 -0.944 . . . . 2.06 108.451 179.072 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.996 HG23 HD22 ' A' ' 13' ' ' LEU . 11.0 mt -42.66 -52.25 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 N-CA-C 109.311 -0.626 . . . . 1.18 109.311 179.503 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.522 ' O ' ' CB ' ' A' ' 48' ' ' MET . . . -61.27 -36.61 80.5 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.229 -0.919 . . . . 0.42 108.911 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 42' ' ' GLU . 0.1 OUTLIER -61.02 -45.66 93.91 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.316 -0.865 . . . . 2.25 109.496 179.737 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.498 ' O ' ' HD2' ' A' ' 49' ' ' PRO . 8.2 mt -65.59 -57.1 8.97 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.49 -0.756 . . . . 1.74 109.422 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.747 ' HB2' HG21 ' A' ' 7' ' ' THR . 0.7 OUTLIER -77.83 5.73 8.98 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.38 -0.825 . . . . 3.46 110.127 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.555 ' CB ' ' HD3' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -70.68 -57.26 5.45 Favored Pre-proline 0 N--CA 1.495 1.775 0 O-C-N 120.88 -1.137 . . . . 1.42 110.198 -179.302 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.555 ' HD3' ' CB ' ' A' ' 48' ' ' MET . 32.4 Cg_endo -73.03 66.82 4.13 Favored 'Trans proline' 0 C--N 1.309 -1.517 0 C-N-CA 122.265 1.977 . . . . 1.52 109.992 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 49' ' ' PRO . 0.3 OUTLIER 160.95 -24.4 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.812 -0.81 . . . . 3.25 108.812 -179.717 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.538 ' HB2' ' CG ' ' A' ' 47' ' ' LYS . 52.3 tp -85.32 164.86 17.73 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.409 -0.807 . . . . 2.33 109.409 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.532 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 14.9 t30 -86.19 14.16 6.84 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.248 -0.907 . . . . 3.23 109.413 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 52' ' ' ASN . . . -43.9 161.49 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.228 -0.92 . . . . 1.53 109.508 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.52 ' O ' ' CB ' ' A' ' 55' ' ' SER . . . -112.79 -3.56 14.17 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.22 -0.925 . . . . 1.8 109.516 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.652 ' N ' ' HB3' ' A' ' 58' ' ' ALA . 0.4 OUTLIER 163.79 163.67 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.169 -0.957 . . . . 1.86 109.341 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.422 ' C ' ' O ' ' A' ' 55' ' ' SER . 38.7 mm -43.75 -73.79 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.228 -0.92 . . . . 1.3 109.415 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -52.47 -29.93 27.29 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.239 -0.913 . . . . 2.69 109.403 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.652 ' HB3' ' N ' ' A' ' 55' ' ' SER . . . -67.17 -43.58 81.89 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.289 -0.882 . . . . 0.78 109.436 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.475 ' O ' HG12 ' A' ' 63' ' ' ILE . . . -60.13 -46.55 89.26 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.205 -0.934 . . . . 0.57 109.296 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.485 ' HA ' ' HB ' ' A' ' 63' ' ' ILE . 1.7 ttm -59.58 -34.19 72.41 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.634 -0.666 . . . . 1.81 109.218 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -59.1 -63.45 1.3 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.303 -0.873 . . . . 3.42 108.964 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -31.35 69.03 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.337 -0.852 . . . . 1.83 109.153 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.98 HG21 HG13 ' A' ' 40' ' ' VAL . 13.6 mm -66.95 -46.76 84.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.353 -0.842 . . . . 0.6 109.315 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 65' ' ' GLY . 8.5 tt0 -62.42 -63.18 1.31 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.247 -0.908 . . . . 2.1 109.508 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 64' ' ' GLU . . . -43.73 -43.34 6.54 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.476 -1.45 . . . . 0.55 109.476 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.85 HG22 ' HB2' ' A' ' 11' ' ' ALA . 36.2 m -60.97 -41.49 96.5 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.247 -1.149 . . . . 0.52 109.391 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.815 ' HB1' ' HB ' ' A' ' 72' ' ' ILE . . . -54.84 -38.66 67.71 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.267 -0.895 . . . . 0.37 109.464 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -60.87 -12.07 9.87 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.328 -0.858 . . . . 3.65 109.856 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 66' ' ' THR . 0.2 OUTLIER -73.85 -21.62 60.05 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.097 -1.002 . . . . 1.67 109.133 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.8 mmt -120.93 -77.55 0.58 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.305 -0.872 . . . . 1.56 109.027 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.534 ' CA ' ' HA ' ' A' ' 31' ' ' LYS . . . 176.94 29.93 0.04 OUTLIER Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.896 -1.282 . . . . 1.11 109.896 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.916 HD11 ' CA ' ' A' ' 15' ' ' LYS . 4.2 mp -91.57 76.57 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.206 -1.173 . . . . 0.82 109.373 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.523 HG12 ' N ' ' A' ' 74' ' ' VAL . 57.8 t -62.15 162.65 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.181 -0.95 . . . . 0.53 109.591 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.523 ' N ' HG12 ' A' ' 73' ' ' VAL . 1.5 t -144.49 114.33 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.5 -0.75 . . . . 0.54 109.48 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -108.72 150.55 27.42 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.329 -0.857 . . . . 2.41 109.463 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 118.003 -0.998 . . . . 3.03 109.48 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.315 0.579 . . . . 14.97 109.469 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -114.19 12.26 17.71 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.169 -0.957 . . . . 11.69 109.519 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.555 ' O ' ' CD2' ' A' ' 3' ' ' PHE . 9.6 p90 -111.86 99.58 8.23 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.258 -0.901 . . . . 10.72 109.432 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.431 ' O ' HG22 ' A' ' 4' ' ' ILE . 19.7 mt 46.63 28.71 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.293 -0.88 . . . . 7.84 109.498 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 m -122.93 26.74 8.0 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.274 -0.891 . . . . 4.93 109.464 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.48 133.99 24.25 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.23 -0.919 . . . . 4.53 109.456 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.747 HG21 ' HB2' ' A' ' 47' ' ' LYS . 0.5 OUTLIER -76.93 171.06 13.39 Favored Pre-proline 0 N--CA 1.489 1.524 0 O-C-N 121.272 -0.893 . . . . 1.76 109.096 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.746 ' HD2' HD12 ' A' ' 13' ' ' LEU . 35.3 Cg_endo -80.64 175.49 10.03 Favored 'Trans proline' 0 C--N 1.308 -1.566 0 C-N-CA 122.739 2.292 . . . . 0.59 109.834 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.539 ' HG2' ' CG2' ' A' ' 12' ' ' VAL . 32.7 Cg_endo -74.7 151.82 41.57 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.266 1.977 . . . . 0.72 110.387 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.7 ' CB ' HD13 ' A' ' 63' ' ' ILE . . . -41.0 -69.23 0.14 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.45 -0.781 . . . . 0.92 110.223 -179.295 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.85 ' HB2' HG22 ' A' ' 66' ' ' THR . . . -43.2 -70.46 0.11 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.21 -0.931 . . . . 0.52 110.025 -179.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.539 ' CG2' ' HG2' ' A' ' 9' ' ' PRO . 52.2 t -42.58 -61.62 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.268 -0.895 . . . . 0.63 109.733 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.996 HD22 HG23 ' A' ' 43' ' ' ILE . 6.6 tt -52.06 -40.96 61.94 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.111 -0.993 . . . . 1.24 109.459 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.526 HD23 ' CD1' ' A' ' 43' ' ' ILE . 15.1 mt -69.2 -62.91 1.19 Allowed 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.513 -0.742 . . . . 1.4 109.27 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.916 ' CA ' HD11 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -55.8 -29.88 60.45 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.253 -0.905 . . . . 2.19 108.81 179.658 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 12' ' ' VAL . 24.4 tttt -73.02 -74.66 0.16 Allowed 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.149 -0.969 . . . . 3.19 109.504 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.08 -59.32 4.95 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 121.744 -0.597 . . . . 0.95 110.285 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.859 ' HB1' HD13 ' A' ' 35' ' ' ILE . . . -75.49 -34.57 60.87 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.146 -0.971 . . . . 1.51 110.249 -179.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.546 ' CA ' ' O ' ' A' ' 15' ' ' LYS . . . -86.61 19.3 29.37 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.782 -1.327 . . . . 1.29 109.782 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.665 HD11 ' H ' ' A' ' 23' ' ' GLY . 15.3 pt 43.78 -169.83 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.352 -1.087 . . . . 2.37 109.908 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.523 ' O ' ' CB ' ' A' ' 22' ' ' SER . 4.2 pt-20 -59.84 -51.43 69.74 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.302 -0.874 . . . . 5.51 109.905 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 1.0 OUTLIER 163.53 52.64 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.185 -0.947 . . . . 3.96 109.393 -179.799 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.665 ' H ' HD11 ' A' ' 20' ' ' ILE . . . -42.83 -27.0 0.51 Allowed Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.725 -1.35 . . . . 2.8 109.725 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.991 ' OG ' HG11 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -91.26 -78.51 0.39 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.159 -1.2 . . . . 3.58 109.805 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.16 -40.53 3.07 Favored Glycine 0 N--CA 1.487 2.061 0 N-CA-C 108.509 -1.837 . . . . 5.82 108.509 -178.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.538 ' N ' ' HD3' ' A' ' 27' ' ' PRO . 1.7 tm-20 -143.09 60.65 9.35 Favored Pre-proline 0 N--CA 1.486 1.365 0 O-C-N 121.525 -0.985 . . . . 7.77 108.342 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.538 ' HD3' ' N ' ' A' ' 26' ' ' GLU . 35.0 Cg_endo -76.33 -162.06 0.15 Allowed 'Trans proline' 0 C--N 1.31 -1.448 0 C-N-CA 122.592 2.195 . . . . 4.12 110.737 -179.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -163.14 -58.15 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.361 -0.837 . . . . 5.33 109.313 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.525 ' O ' ' CB ' ' A' ' 30' ' ' ASN . 2.7 mmt85 -72.22 -12.01 60.98 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.29 -0.881 . . . . 6.79 109.328 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.525 ' CB ' ' O ' ' A' ' 29' ' ' ARG . 2.9 m-20 76.34 167.65 0.26 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.325 -0.859 . . . . 3.78 109.533 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.534 ' HA ' ' CA ' ' A' ' 71' ' ' GLY . 0.2 OUTLIER 76.94 94.51 0.07 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.335 -0.853 . . . . 3.1 109.573 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.991 HG11 ' OG ' ' A' ' 24' ' ' SER . 16.8 m -121.61 6.87 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.226 -0.921 . . . . 1.48 109.579 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -160.19 121.55 3.12 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.222 -0.924 . . . . 0.79 109.65 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.495 HG23 ' HB ' ' A' ' 73' ' ' VAL . 0.2 OUTLIER -103.53 96.93 7.06 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.225 -0.922 . . . . 0.81 109.271 179.737 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.924 HD12 ' CB ' ' A' ' 39' ' ' LYS . 5.7 pt -100.33 154.66 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.312 -0.867 . . . . 0.73 109.488 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -83.81 -179.9 7.4 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.1 -1.0 . . . . 2.56 108.699 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.54 ' O ' ' CB ' ' A' ' 41' ' ' ARG . 49.3 ttp180 -58.8 -16.76 18.49 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.027 -1.046 . . . . 3.32 109.349 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.16 -31.01 68.6 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.574 -0.704 . . . . 2.17 110.062 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.924 ' CB ' HD12 ' A' ' 35' ' ' ILE . 5.0 mmtt -81.18 -57.26 3.59 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.088 -1.008 . . . . 2.32 109.866 -179.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.98 HG13 HG21 ' A' ' 63' ' ' ILE . 42.2 t -65.83 -14.33 17.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 N-CA-C 107.725 -1.213 . . . . 0.54 107.725 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.54 ' CB ' ' O ' ' A' ' 37' ' ' ARG . 2.3 ttt180 -72.89 -59.91 2.48 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.417 -0.957 . . . . 2.9 108.417 178.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 45' ' ' GLU . 9.8 mm-40 -63.13 -54.52 36.44 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.451 -0.944 . . . . 2.06 108.451 179.072 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.996 HG23 HD22 ' A' ' 13' ' ' LEU . 11.0 mt -42.66 -52.25 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 N-CA-C 109.311 -0.626 . . . . 1.18 109.311 179.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.522 ' O ' ' CB ' ' A' ' 48' ' ' MET . . . -61.27 -36.61 80.5 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.229 -0.919 . . . . 0.42 108.911 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 42' ' ' GLU . 0.1 OUTLIER -61.02 -45.66 93.91 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.316 -0.865 . . . . 2.25 109.496 179.737 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.498 ' O ' ' HD2' ' A' ' 49' ' ' PRO . 8.2 mt -65.59 -57.1 8.97 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.49 -0.756 . . . . 1.74 109.422 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.747 ' HB2' HG21 ' A' ' 7' ' ' THR . 0.7 OUTLIER -77.83 5.73 8.98 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.38 -0.825 . . . . 3.46 110.127 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.555 ' CB ' ' HD3' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -70.68 -57.26 5.45 Favored Pre-proline 0 N--CA 1.495 1.775 0 O-C-N 120.88 -1.137 . . . . 1.42 110.198 -179.302 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.555 ' HD3' ' CB ' ' A' ' 48' ' ' MET . 32.4 Cg_endo -73.03 66.82 4.13 Favored 'Trans proline' 0 C--N 1.309 -1.517 0 C-N-CA 122.265 1.977 . . . . 1.52 109.992 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 49' ' ' PRO . 0.3 OUTLIER 160.95 -24.4 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.812 -0.81 . . . . 3.25 108.812 -179.717 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.538 ' HB2' ' CG ' ' A' ' 47' ' ' LYS . 52.3 tp -85.32 164.86 17.73 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.409 -0.807 . . . . 2.33 109.409 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.532 ' N ' ' HG ' ' A' ' 51' ' ' LEU . 14.9 t30 -86.19 14.16 6.84 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.248 -0.907 . . . . 3.23 109.413 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 52' ' ' ASN . . . -43.9 161.49 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.228 -0.92 . . . . 1.53 109.508 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.52 ' O ' ' CB ' ' A' ' 55' ' ' SER . . . -112.79 -3.56 14.17 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.22 -0.925 . . . . 1.8 109.516 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.652 ' N ' ' HB3' ' A' ' 58' ' ' ALA . 0.4 OUTLIER 163.79 163.67 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.169 -0.957 . . . . 1.86 109.341 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.422 ' C ' ' O ' ' A' ' 55' ' ' SER . 38.7 mm -43.75 -73.79 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.228 -0.92 . . . . 1.3 109.415 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -52.47 -29.93 27.29 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.239 -0.913 . . . . 2.69 109.403 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.652 ' HB3' ' N ' ' A' ' 55' ' ' SER . . . -67.17 -43.58 81.89 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.289 -0.882 . . . . 0.78 109.436 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.475 ' O ' HG12 ' A' ' 63' ' ' ILE . . . -60.13 -46.55 89.26 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.205 -0.934 . . . . 0.57 109.296 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.485 ' HA ' ' HB ' ' A' ' 63' ' ' ILE . 1.7 ttm -59.58 -34.19 72.41 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.634 -0.666 . . . . 1.81 109.218 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -59.1 -63.45 1.3 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.303 -0.873 . . . . 3.42 108.964 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -31.35 69.03 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.337 -0.852 . . . . 1.83 109.153 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.98 HG21 HG13 ' A' ' 40' ' ' VAL . 13.6 mm -66.95 -46.76 84.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.353 -0.842 . . . . 0.6 109.315 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 65' ' ' GLY . 8.5 tt0 -62.42 -63.18 1.31 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.247 -0.908 . . . . 2.1 109.508 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 64' ' ' GLU . . . -43.73 -43.34 6.54 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.476 -1.45 . . . . 0.55 109.476 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.85 HG22 ' HB2' ' A' ' 11' ' ' ALA . 36.2 m -60.97 -41.49 96.5 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.247 -1.149 . . . . 0.52 109.391 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.815 ' HB1' ' HB ' ' A' ' 72' ' ' ILE . . . -54.84 -38.66 67.71 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.267 -0.895 . . . . 0.37 109.464 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -60.87 -12.07 9.87 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.328 -0.858 . . . . 3.65 109.856 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 66' ' ' THR . 0.2 OUTLIER -73.85 -21.62 60.05 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.097 -1.002 . . . . 1.67 109.133 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.8 mmt -120.93 -77.55 0.58 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.305 -0.872 . . . . 1.56 109.027 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.534 ' CA ' ' HA ' ' A' ' 31' ' ' LYS . . . 176.94 29.93 0.04 OUTLIER Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.896 -1.282 . . . . 1.11 109.896 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.916 HD11 ' CA ' ' A' ' 15' ' ' LYS . 4.2 mp -91.57 76.57 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.206 -1.173 . . . . 0.82 109.373 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.523 HG12 ' N ' ' A' ' 74' ' ' VAL . 57.8 t -62.15 162.65 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.181 -0.95 . . . . 0.53 109.591 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.523 ' N ' HG12 ' A' ' 73' ' ' VAL . 1.5 t -144.49 114.33 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.5 -0.75 . . . . 0.54 109.48 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -108.72 150.55 27.42 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.329 -0.857 . . . . 2.41 109.463 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 118.003 -0.998 . . . . 3.03 109.48 -179.99 . . . . . . . . 1 1 . 1 stop_ save_