data_7ju9_residue ############################ # Computer software used # ############################ 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 7ju9 _Structure_validation_residue.Date_analyzed 2020-09-04 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.516 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 88.9 mmt-85 . . . . . 0 N--CA 1.456 -0.133 0 CA-C-O 120.876 0.37 . . . . 0.0 110.326 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.516 ' HB ' ' O ' ' A' ' 2' ' ' ARG . 46.6 mm 72.67 -14.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.464 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.488 ' H ' ' C ' ' A' ' 2' ' ' ARG . 64.7 t0 . . . . . 0 C--N 1.331 -0.212 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.536 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.459 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 15.6 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.766 0.317 . . . . 0.0 110.594 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.491 ' C ' ' H ' ' A' ' 9' ' ' GLY . 23.8 Cg_exo -60.49 143.64 99.47 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.604 2.203 . . . . 0.0 111.675 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 46.54 14.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.532 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.491 ' H ' ' C ' ' A' ' 7' ' ' PRO . . . -117.54 100.78 0.89 Allowed Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.23 -36.18 93.07 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.316 -1.114 . . . . 0.0 110.316 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.624 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 179.686 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.532 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 49.5 tp10 . . . . . 0 CA--C 1.529 0.136 0 CA-C-O 120.859 0.361 . . . . 0.0 110.173 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.986 179.83 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.519 ' O ' ' OXT' ' A' ' 20' ' ' CYS . 6.6 p . . . . . 0 N--CA 1.456 -0.144 0 CA-C-O 120.704 0.288 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.519 ' OXT' ' O ' ' A' ' 19' ' ' CYS . 0.4 OUTLIER . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.643 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.453 ' C ' ' H ' ' A' ' 4' ' ' ASP . 84.3 mtt85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.829 0.347 . . . . 0.0 110.578 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.416 HG23 ' HA ' ' A' ' 7' ' ' PRO . 95.8 mt -56.83 -8.24 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.595 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.453 ' H ' ' C ' ' A' ' 2' ' ' ARG . 46.3 p-10 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.575 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.554 ' SG ' ' O ' ' A' ' 9' ' ' GLY . 13.3 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.866 0.365 . . . . 0.0 110.466 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.592 ' O ' ' N ' ' A' ' 9' ' ' GLY . 32.8 Cg_exo -56.05 135.35 69.39 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.789 2.326 . . . . 0.0 112.153 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.462 ' C ' ' O ' ' A' ' 7' ' ' PRO . . . 34.92 27.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.582 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.592 ' N ' ' O ' ' A' ' 7' ' ' PRO . . . -114.07 60.66 0.37 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.551 ' C ' ' O ' ' A' ' 9' ' ' GLY . . . -26.03 -42.91 0.01 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 9' ' ' GLY . . . . . . . . 0 CA--C 1.526 0.72 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.401 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 21.6 pt-20 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.815 0.341 . . . . 0.0 110.547 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.553 -179.938 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 p . . . . . 0 CA--C 1.528 0.125 0 N-CA-C 111.306 0.113 . . . . 0.0 111.306 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.59 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.4 ' HA ' ' HD3' ' A' ' 2' ' ' ARG . 89.4 mmt-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.827 0.346 . . . . 0.0 110.366 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.445 ' O ' ' O ' ' A' ' 6' ' ' CYS . 42.2 mm -67.24 -26.36 36.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.548 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 58.3 t0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.658 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.578 ' SG ' ' HD2' ' A' ' 7' ' ' PRO . 47.7 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.834 0.349 . . . . 0.0 110.177 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.578 ' HD2' ' SG ' ' A' ' 6' ' ' CYS . 46.1 Cg_endo -71.56 54.71 1.98 Allowed 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 122.795 2.33 . . . . 0.0 112.283 -179.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 45.04 36.59 2.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.4 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.45 10.31 67.03 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.555 ' O ' ' C ' ' A' ' 11' ' ' GLY . . . 75.11 -92.86 0.85 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.344 -1.102 . . . . 0.0 110.344 -179.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.555 ' C ' ' O ' ' A' ' 10' ' ' GLY . . . . . . . . 0 CA--C 1.521 0.467 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.869 0.366 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.381 -179.577 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.205 0 CA-C-O 120.786 0.327 . . . . 0.0 110.374 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.041 -0.98 . . . . 0.0 110.688 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.884 0.373 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.455 HG23 ' HA ' ' A' ' 7' ' ' PRO . 92.4 mt -66.96 -25.24 33.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.292 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 64.8 t0 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.502 179.904 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.659 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 18.5 p . . . . . 0 C--O 1.23 0.065 0 CA-C-O 121.237 0.542 . . . . 0.0 110.266 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.455 ' HA ' HG23 ' A' ' 3' ' ' ILE . 24.1 Cg_exo -60.16 143.24 99.54 Favored 'Trans proline' 0 C--N 1.304 -1.788 0 C-N-CA 122.664 2.243 . . . . 0.0 111.866 -179.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 49.85 15.51 0.17 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.752 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 7' ' ' PRO . . . -76.84 -13.94 83.09 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 62.5 -82.42 0.03 OUTLIER Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.383 0 N-CA-C 110.169 -1.172 . . . . 0.0 110.169 179.7 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.639 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 13.0 pt-20 . . . . . 0 N--CA 1.455 -0.198 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 . . . . . 0 C--N 1.332 -0.16 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.752 179.599 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.619 ' SG ' ' N ' ' A' ' 14' ' ' GLU . 1.7 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.615 0.245 . . . . 0.0 111.188 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.639 ' SG ' ' O ' ' A' ' 14' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.494 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.974 0.416 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.442 ' O ' ' CG2' ' A' ' 3' ' ' ILE . 74.3 mt -77.26 -1.03 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.572 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 66.1 t0 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.543 -179.7 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.6 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.74 0.305 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.587 ' O ' ' N ' ' A' ' 9' ' ' GLY . 48.9 Cg_endo -72.47 108.87 2.62 Favored 'Trans proline' 0 C--N 1.303 -1.839 0 C-N-CA 122.417 2.078 . . . . 0.0 111.813 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 7' ' ' PRO . . . 38.86 22.21 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.518 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.587 ' N ' ' O ' ' A' ' 7' ' ' PRO . . . -94.08 116.69 5.31 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.37 -33.87 87.56 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.355 -1.098 . . . . 0.0 110.355 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.676 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 179.819 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 120.673 0.273 . . . . 0.0 110.484 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.885 179.637 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.536 ' O ' ' C ' ' A' ' 20' ' ' CYS . 13.1 p . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.692 0.282 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.536 ' C ' ' O ' ' A' ' 19' ' ' CYS . 0.9 OUTLIER . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.635 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.721 0.296 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.419 HD12 HG22 ' A' ' 3' ' ' ILE . 42.9 mm -67.35 -25.49 33.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.792 0.33 . . . . 0.0 110.793 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.74 -179.773 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.8 p . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.895 0.378 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.5 ' O ' ' HB1' ' A' ' 8' ' ' ALA . 35.2 Cg_endo -65.56 147.29 86.37 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.808 2.339 . . . . 0.0 112.096 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.5 ' HB1' ' O ' ' A' ' 7' ' ' PRO . . . 77.6 -24.64 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.471 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.487 ' H ' ' C ' ' A' ' 7' ' ' PRO . . . -85.64 -7.76 81.29 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.548 ' O ' ' C ' ' A' ' 11' ' ' GLY . . . 53.65 -89.2 0.01 OUTLIER Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.506 -1.038 . . . . 0.0 110.506 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.548 ' C ' ' O ' ' A' ' 10' ' ' GLY . . . . . . . . 0 CA--C 1.52 0.384 0 N-CA-C 110.403 -1.079 . . . . 0.0 110.403 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.789 0.328 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 . . . . . 0 C--N 1.331 -0.203 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.647 179.616 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 29.3 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.861 0.362 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.5 p . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.491 179.701 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.492 ' C ' ' H ' ' A' ' 4' ' ' ASP . 94.6 mtt-85 . . . . . 0 CA--C 1.522 -0.126 0 CA-C-O 120.933 0.397 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.586 ' O ' ' CG2' ' A' ' 3' ' ' ILE . 3.0 mt 51.43 11.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.491 -179.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.492 ' H ' ' C ' ' A' ' 2' ' ' ARG . 46.6 t0 . . . . . 0 C--N 1.331 -0.202 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.423 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.644 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 14.9 p . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 121.228 0.537 . . . . 0.0 110.623 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.504 ' C ' ' H ' ' A' ' 9' ' ' GLY . 21.9 Cg_endo -62.51 143.26 92.78 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.633 2.222 . . . . 0.0 111.497 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 59.72 3.55 0.46 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.334 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.504 ' H ' ' C ' ' A' ' 7' ' ' PRO . . . -83.53 109.77 3.2 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 110.577 -1.009 . . . . 0.0 110.577 179.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.3 -33.73 81.78 Favored Glycine 0 CA--C 1.519 0.299 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.575 0 N-CA-C 110.269 -1.132 . . . . 0.0 110.269 179.198 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.594 0.235 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 . . . . . 0 C--N 1.331 -0.226 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -179.908 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.1 p . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.557 0.218 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.463 179.7 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.488 ' C ' ' H ' ' A' ' 4' ' ' ASP . 39.7 mmt180 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.799 0.333 . . . . 0.0 110.574 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.4 mp 61.07 2.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.493 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.488 ' H ' ' C ' ' A' ' 2' ' ' ARG . 42.3 t0 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.584 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.657 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 14.8 p . . . . . 0 CA--C 1.523 -0.069 0 CA-C-O 121.156 0.503 . . . . 0.0 110.358 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.544 ' HD3' ' N ' ' A' ' 6' ' ' CYS . 38.5 Cg_exo -60.0 143.12 99.6 Favored 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 122.821 2.347 . . . . 0.0 112.018 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 67.91 -5.95 0.78 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.528 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.597 ' O ' ' N ' ' A' ' 11' ' ' GLY . . . -88.79 76.23 1.89 Allowed Glycine 0 CA--C 1.522 0.51 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.495 ' C ' ' O ' ' A' ' 9' ' ' GLY . . . -31.17 -33.2 0.01 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' A' ' 9' ' ' GLY . . . . . . . . 0 CA--C 1.523 0.574 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.526 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 49.8 tp10 . . . . . 0 N--CA 1.455 -0.186 0 CA-C-O 120.802 0.334 . . . . 0.0 110.514 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.569 179.858 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.627 ' SG ' ' N ' ' A' ' 20' ' ' CYS . 8.2 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.615 0.245 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.627 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--O 1.221 -0.413 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.566 -179.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 84.7 mtt85 . . . . . 0 CA--C 1.528 0.102 0 CA-C-O 120.646 0.26 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.469 ' CG2' ' HA ' ' A' ' 7' ' ' PRO . 94.6 mt -63.07 -42.74 97.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.072 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 . . . . . 0 C--N 1.328 -0.339 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.365 -179.626 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.603 ' SG ' ' HA3' ' A' ' 9' ' ' GLY . 16.6 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.636 0.255 . . . . 0.0 110.686 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.548 ' O ' ' N ' ' A' ' 9' ' ' GLY . 27.9 Cg_exo -58.47 139.02 88.95 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.27 1.98 . . . . 0.0 111.42 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 42.41 17.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.609 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.603 ' HA3' ' SG ' ' A' ' 6' ' ' CYS . . . -101.69 68.53 0.4 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.709 -0.956 . . . . 0.0 110.709 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.516 ' C ' ' O ' ' A' ' 9' ' ' GLY . . . -29.78 -54.52 0.2 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.529 -1.029 . . . . 0.0 110.529 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.551 0 N-CA-C 110.431 -1.068 . . . . 0.0 110.431 179.501 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.509 ' O ' ' HG2' ' A' ' 14' ' ' GLU . 80.4 tt0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.741 0.305 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.753 -179.526 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.5 ' O ' ' C ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.492 0 CA-C-O 120.734 0.302 . . . . 0.0 111.647 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.5 ' C ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.218 -0.597 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.609 -179.561 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 120.83 0.348 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.455 ' O ' HG23 ' A' ' 3' ' ' ILE . 36.4 mm -104.33 3.2 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.623 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.4 -179.848 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.643 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 20.4 p . . . . . 0 C--O 1.233 0.218 0 CA-C-O 121.144 0.497 . . . . 0.0 110.607 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.48 ' O ' ' N ' ' A' ' 9' ' ' GLY . 36.3 Cg_endo -65.58 144.56 79.29 Favored 'Trans proline' 0 C--N 1.304 -1.8 0 C-N-CA 122.875 2.383 . . . . 0.0 112.018 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 46.38 15.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.797 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.591 ' O ' ' N ' ' A' ' 11' ' ' GLY . . . -80.08 -6.5 89.14 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 48.7 -83.41 0.01 OUTLIER Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.591 ' N ' ' O ' ' A' ' 9' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.707 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.53 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 97.1 mt-10 . . . . . 0 CA--C 1.527 0.085 0 CA-C-O 120.637 0.256 . . . . 0.0 110.671 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.959 0.409 . . . . 0.0 110.609 179.817 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.53 ' SG ' ' N ' ' A' ' 14' ' ' GLU . 6.3 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.556 0.217 . . . . 0.0 111.386 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.221 -0.41 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.778 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.715 0.293 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 60.0 mt -63.92 -43.78 97.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.588 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.548 179.917 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.617 ' SG ' ' HD2' ' A' ' 7' ' ' PRO . 16.0 t . . . . . 0 C--O 1.231 0.114 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.617 ' HD2' ' SG ' ' A' ' 6' ' ' CYS . 53.0 Cg_endo -73.02 53.91 2.54 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.853 2.368 . . . . 0.0 112.094 -179.504 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 7' ' ' PRO . . . 81.91 -7.56 1.37 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.608 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.568 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -74.01 129.38 11.68 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.17 -39.73 98.28 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.612 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.793 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.607 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 57.5 mp0 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.758 0.313 . . . . 0.0 110.545 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.593 179.527 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 9.2 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.569 0.223 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.607 ' SG ' ' O ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.218 -0.553 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.609 179.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 91.5 mtm180 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.777 0.322 . . . . 0.0 110.529 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.8 mm -69.43 -23.02 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.596 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 44.7 t0 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.652 179.907 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.0 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.56 0.219 . . . . 0.0 110.456 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 9' ' ' GLY . 36.5 Cg_endo -66.21 96.31 0.33 Allowed 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.861 2.374 . . . . 0.0 112.073 179.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 43.28 21.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.58 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 7' ' ' PRO . . . -89.5 124.14 7.23 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.33 -36.32 93.24 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.67 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.864 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.828 0.347 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.547 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.481 ' O ' ' C ' ' A' ' 20' ' ' CYS . 18.7 p . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.619 0.247 . . . . 0.0 111.09 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.481 ' C ' ' O ' ' A' ' 19' ' ' CYS . 1.3 m . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.944 -1.027 . . . . 0.0 110.544 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 79.9 mtp85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.788 0.328 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.544 ' O ' ' O ' ' A' ' 6' ' ' CYS . 7.8 mt -88.92 14.55 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.637 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.56 179.904 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.544 ' O ' ' O ' ' A' ' 3' ' ' ILE . 49.7 m . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.895 0.379 . . . . 0.0 110.33 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.606 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 56.1 Cg_endo -75.08 49.26 2.23 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.823 2.349 . . . . 0.0 112.018 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.606 ' CB ' ' O ' ' A' ' 7' ' ' PRO . . . 88.85 33.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.524 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.96 6.14 83.79 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 -100.92 1.58 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.743 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.595 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.567 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 49.0 tp10 . . . . . 0 N--CA 1.458 -0.049 0 CA-C-O 120.843 0.354 . . . . 0.0 110.599 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.574 179.882 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.567 ' SG ' ' N ' ' A' ' 14' ' ' GLU . 12.3 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.368 0.128 . . . . 0.0 111.323 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.513 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.54 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.517 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 79.8 mtp85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.798 0.333 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.611 ' O ' ' N ' ' A' ' 6' ' ' CYS . 0.2 OUTLIER -58.22 -39.78 74.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.331 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.604 ' N ' HG12 ' A' ' 3' ' ' ILE . 93.4 m-20 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.597 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.611 ' N ' ' O ' ' A' ' 3' ' ' ILE . 12.5 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.001 0.429 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -69.16 20.69 0.15 Allowed 'Trans proline' 0 C--N 1.302 -1.884 0 C-N-CA 122.957 2.438 . . . . 0.0 112.181 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.519 ' H ' ' C ' ' A' ' 6' ' ' CYS . . . -111.1 -28.15 8.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.648 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.473 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -165.64 156.0 27.67 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.62 -34.38 89.75 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.651 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.458 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 12.7 pt-20 . . . . . 0 CA--C 1.527 0.094 0 CA-C-O 120.888 0.375 . . . . 0.0 110.532 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.575 179.759 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 20' ' ' CYS . 5.0 p . . . . . 0 CA--C 1.526 0.057 0 CA-C-O 120.6 0.238 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.458 ' SG ' ' O ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 118.137 -0.935 . . . . 0.0 110.615 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.485 ' C ' ' H ' ' A' ' 4' ' ' ASP . 63.7 mtm180 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.693 0.282 . . . . 0.0 110.535 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.443 HG23 ' HA ' ' A' ' 7' ' ' PRO . 44.4 mm -58.83 -4.9 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.512 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.485 ' H ' ' C ' ' A' ' 2' ' ' ARG . 55.1 m-20 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.539 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.685 0.279 . . . . 0.0 110.512 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.464 ' C ' ' H ' ' A' ' 9' ' ' GLY . 48.2 Cg_endo -71.23 125.9 11.82 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.769 2.313 . . . . 0.0 112.183 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 7' ' ' PRO . . . 77.42 -20.19 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.56 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.481 ' C ' ' H ' ' A' ' 11' ' ' GLY . . . -63.59 -37.55 94.93 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.41 ' HA2' HD11 ' A' ' 3' ' ' ILE . . . 75.57 -36.09 1.18 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.481 ' H ' ' C ' ' A' ' 9' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.709 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.837 0.351 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.559 -179.76 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.548 ' O ' ' C ' ' A' ' 20' ' ' CYS . 25.5 p . . . . . 0 C--O 1.231 0.115 0 N-CA-C 111.471 0.174 . . . . 0.0 111.471 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.548 ' C ' ' O ' ' A' ' 19' ' ' CYS . 78.6 m . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.573 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.572 ' O ' ' O ' ' A' ' 10' ' ' GLY . 8.3 ttp180 . . . . . 0 CA--C 1.524 -0.053 0 CA-C-O 120.745 0.307 . . . . 0.0 110.739 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.478 ' O ' ' CG2' ' A' ' 3' ' ' ILE . 6.1 mt -123.0 9.69 5.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.531 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 43.1 t0 . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.592 -179.841 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.149 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.458 ' C ' ' H ' ' A' ' 9' ' ' GLY . 39.7 Cg_exo -59.07 143.02 99.96 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.827 2.352 . . . . 0.0 112.233 -179.524 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 72.45 -8.84 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.617 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 11' ' ' GLY . . . -86.8 -6.04 80.39 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.572 ' O ' ' O ' ' A' ' 2' ' ' ARG . . . 57.06 -81.39 0.01 OUTLIER Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 9' ' ' GLY . . . . . . . . 0 CA--C 1.526 0.765 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 120.619 0.247 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.365 -179.945 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.453 ' SG ' ' N ' ' A' ' 20' ' ' CYS . 18.7 p . . . . . 0 CA--C 1.53 0.207 0 CA-C-O 120.72 0.295 . . . . 0.0 110.79 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.453 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.597 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 92.7 mtm-85 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.81 0.338 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.433 HG21 HD12 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -107.43 8.79 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.537 -179.874 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.498 ' C ' ' H ' ' A' ' 6' ' ' CYS . 64.3 t0 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.43 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.594 ' SG ' ' HD2' ' A' ' 7' ' ' PRO . 15.2 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.736 0.303 . . . . 0.0 110.38 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.594 ' HD2' ' SG ' ' A' ' 6' ' ' CYS . 41.2 Cg_endo -68.65 76.92 0.75 Allowed 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.73 2.287 . . . . 0.0 112.397 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.483 ' O ' ' C ' ' A' ' 9' ' ' GLY . . . 70.25 -52.6 0.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.669 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' A' ' 8' ' ' ALA . . . -31.12 124.28 0.17 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.881 -0.887 . . . . 0.0 110.881 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.53 -43.74 98.59 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.723 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.781 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.55 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 68.4 mm-40 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.776 0.322 . . . . 0.0 110.453 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.565 179.775 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.489 ' O ' ' C ' ' A' ' 20' ' ' CYS . 13.9 p . . . . . 0 N--CA 1.461 0.092 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.55 ' SG ' ' O ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.586 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.873 0.368 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.425 HG21 ' O ' ' A' ' 3' ' ' ILE . 91.6 mt -66.23 -23.97 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.553 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.616 179.964 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.538 ' SG ' ' HA3' ' A' ' 9' ' ' GLY . 22.6 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.749 0.309 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.622 ' O ' ' N ' ' A' ' 9' ' ' GLY . 33.3 Cg_exo -56.18 126.42 22.3 Favored 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 122.285 1.99 . . . . 0.0 111.737 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.544 ' C ' ' O ' ' A' ' 7' ' ' PRO . . . 25.41 40.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.927 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.622 ' N ' ' O ' ' A' ' 7' ' ' PRO . . . -109.55 116.98 4.69 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.83 -49.32 64.02 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.514 ' O ' ' SG ' ' A' ' 19' ' ' CYS . . . . . . . . 0 CA--C 1.52 0.369 0 N-CA-C 110.457 -1.057 . . . . 0.0 110.457 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.92 0.391 . . . . 0.0 110.479 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.527 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.514 ' SG ' ' O ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.233 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.0 m . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.313 179.637 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.504 ' C ' ' H ' ' A' ' 4' ' ' ASP . 89.6 mtm180 . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.845 0.355 . . . . 0.0 110.635 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.581 ' O ' ' CG2' ' A' ' 3' ' ' ILE . 3.9 mt 46.67 14.11 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.601 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.504 ' H ' ' C ' ' A' ' 2' ' ' ARG . 67.9 t0 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.568 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.544 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 7.9 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.779 0.323 . . . . 0.0 110.795 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.605 ' O ' ' N ' ' A' ' 9' ' ' GLY . 35.6 Cg_exo -60.09 140.29 91.77 Favored 'Trans proline' 0 C--N 1.303 -1.839 0 C-N-CA 122.708 2.272 . . . . 0.0 112.066 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 40.3 18.75 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.568 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.605 ' N ' ' O ' ' A' ' 7' ' ' PRO . . . -78.2 -28.28 56.32 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.78 -90.26 1.66 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.737 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.798 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 . . . . . 0 N--CA 1.461 0.095 0 CA-C-O 120.863 0.363 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.633 -179.774 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.409 ' O ' ' OXT' ' A' ' 20' ' ' CYS . 8.3 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.75 0.31 . . . . 0.0 110.787 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.409 ' OXT' ' O ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.559 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.492 ' C ' HG13 ' A' ' 3' ' ' ILE . 86.5 mtm-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.788 0.327 . . . . 0.0 110.548 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.498 ' CG2' ' HA ' ' A' ' 7' ' ' PRO . 4.4 mt -141.75 1.27 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.496 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.519 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.421 ' HA ' ' HD2' ' A' ' 7' ' ' PRO . 1.7 p . . . . . 0 C--O 1.232 0.151 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.498 ' HA ' ' CG2' ' A' ' 3' ' ' ILE . 28.3 Cg_endo -62.68 140.62 81.83 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.818 2.346 . . . . 0.0 112.139 -178.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 58.08 5.23 0.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.566 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.48 ' H ' ' C ' ' A' ' 7' ' ' PRO . . . -91.59 3.88 78.99 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.506 ' O ' ' C ' ' A' ' 11' ' ' GLY . . . 44.81 -106.58 0.11 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.506 ' C ' ' O ' ' A' ' 10' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.659 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 56.8 mp0 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.743 0.306 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.593 179.835 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.536 ' O ' ' C ' ' A' ' 20' ' ' CYS . 20.2 p . . . . . 0 CA--C 1.534 0.347 0 N-CA-C 111.211 0.078 . . . . 0.0 111.211 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.536 ' C ' ' O ' ' A' ' 19' ' ' CYS . 1.3 m . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.623 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.516 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 88.9 mmt-85 -67.71 148.82 50.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.876 0.37 . . . . 0.0 110.326 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.516 ' HB ' ' O ' ' A' ' 2' ' ' ARG . 46.6 mm 72.67 -14.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.464 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.488 ' H ' ' C ' ' A' ' 2' ' ' ARG . 64.7 t0 -63.2 -41.22 99.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.536 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' DBU . . . . . 0.607 ' C ' ' HD3' ' A' ' 7' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.468 ' HB2' ' HG3' ' A' ' 12' ' ' DBB . 15.6 t -125.66 64.27 48.86 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.594 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.607 ' HD3' ' C ' ' A' ' 5' ' ' DBU . 23.8 Cg_exo -60.49 143.64 99.47 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.604 2.203 . . . . 0.0 111.675 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 46.54 14.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.532 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.491 ' H ' ' C ' ' A' ' 7' ' ' PRO . . . -117.54 100.78 0.89 Allowed Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.23 -36.18 93.07 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.316 -1.114 . . . . 0.0 110.316 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.527 ' O ' ' HB2' ' A' ' 12' ' ' DBB . . . -94.41 60.39 1.86 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' DBB . . . . . 0.606 ' CG ' ' N ' ' A' ' 16' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' DAL . . . . . 0.52 ' H ' ' C ' ' A' ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.541 ' O ' ' HG1' ' A' ' 16' ' ' DBB . 49.5 tp10 -70.01 -4.55 21.39 Favored 'General case' 0 C--N 1.343 0.3 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.173 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.56 ' C ' ' CG ' ' A' ' 16' ' ' DBB . 99.3 mm-40 -65.7 -26.12 67.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.986 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' DBB . . . . . 0.622 ' O ' ' C ' ' A' ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.667 ' O ' ' C ' ' A' ' 18' ' ' DBU . . . 2.54 -109.23 0.01 OUTLIER Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.513 -0.635 . . . . 0.0 111.513 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' DBU . . . . . 0.667 ' C ' ' O ' ' A' ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.583 ' N ' ' O ' ' A' ' 17' ' ' GLY . 6.6 p -126.69 -21.66 4.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.971 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.519 ' OXT' ' O ' ' A' ' 19' ' ' CYS . 0.4 OUTLIER . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.643 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.616 ' O ' ' N ' ' A' ' 3' ' ' ILE . . . . . . . . 0 N--CA 1.491 2.311 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.453 ' C ' ' H ' ' A' ' 4' ' ' ASP . 84.3 mtt85 36.38 -88.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.829 0.347 . . . . 0.0 110.578 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.616 ' N ' ' O ' ' A' ' 1' ' ' GLY . 95.8 mt -56.83 -8.24 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.595 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.588 ' OD1' ' N ' ' A' ' 5' ' ' DBU . 46.3 p-10 -66.77 -37.52 84.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.575 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' DBU . . . . . 0.589 ' C ' ' HD3' ' A' ' 7' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.554 ' SG ' ' O ' ' A' ' 9' ' ' GLY . 13.3 t -119.31 72.87 13.95 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.466 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.592 ' O ' ' N ' ' A' ' 9' ' ' GLY . 32.8 Cg_exo -56.05 135.35 69.39 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.789 2.326 . . . . 0.0 112.153 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.462 ' C ' ' O ' ' A' ' 7' ' ' PRO . . . 34.92 27.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.582 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.592 ' N ' ' O ' ' A' ' 7' ' ' PRO . . . -114.07 60.66 0.37 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.551 ' C ' ' O ' ' A' ' 9' ' ' GLY . . . -26.03 -42.91 0.01 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.577 ' C ' ' H ' ' A' ' 13' ' ' DAL . . . -84.85 51.83 4.61 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.58 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' DBB . . . . . 0.607 ' CG ' ' N ' ' A' ' 16' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' DAL . . . . . 0.612 ' C ' ' H ' ' A' ' 15' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.401 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 21.6 pt-20 -50.26 -10.93 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.341 . . . . 0.0 110.547 179.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.612 ' H ' ' C ' ' A' ' 13' ' ' DAL . 13.4 tp60 -59.52 -28.1 66.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.553 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' DBB . . . . . 0.617 ' C ' ' HB2' ' A' ' 20' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.566 ' O ' ' O ' ' A' ' 16' ' ' DBB . . . -28.68 151.64 0.0 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 p -136.41 -6.39 2.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.306 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.617 ' HB2' ' C ' ' A' ' 16' ' ' DBB . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.59 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.328 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.458 ' O ' ' HG2' ' A' ' 18' ' ' DBU . 89.4 mmt-85 -63.16 -39.14 93.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.827 0.346 . . . . 0.0 110.366 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.445 ' O ' ' O ' ' A' ' 6' ' ' CYS . 42.2 mm -67.24 -26.36 36.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.548 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -63.48 -40.06 96.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.658 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' DBU . . . . . 0.593 ' C ' ' HA3' ' A' ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.578 ' SG ' ' HD2' ' A' ' 7' ' ' PRO . 47.7 t -70.18 137.52 86.89 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.177 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.578 ' HD2' ' SG ' ' A' ' 6' ' ' CYS . 46.1 Cg_endo -71.56 54.71 1.98 Allowed 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 122.795 2.33 . . . . 0.0 112.283 -179.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 45.04 36.59 2.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.4 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.45 10.31 67.03 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.555 ' O ' ' C ' ' A' ' 11' ' ' GLY . . . 75.11 -92.86 0.85 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.344 -1.102 . . . . 0.0 110.344 -179.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.555 ' C ' ' O ' ' A' ' 10' ' ' GLY . . . -29.72 -67.2 0.11 Allowed Glycine 0 CA--C 1.521 0.467 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 179.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' DBB . . . . . 0.622 ' C ' ' SG ' ' A' ' 19' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' DAL . . . . . 0.63 ' O ' ' SG ' ' A' ' 20' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -69.71 -25.74 64.0 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.726 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.525 ' HB2' ' HB2' ' A' ' 12' ' ' DBB . 1.2 mm-40 -77.26 -11.04 59.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.381 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' DBB . . . . . 0.596 ' O ' ' O ' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.648 ' O ' ' C ' ' A' ' 18' ' ' DBU . . . 13.83 -128.27 0.01 OUTLIER Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.674 -0.57 . . . . 0.0 111.674 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' DBU . . . . . 0.648 ' C ' ' O ' ' A' ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.622 ' SG ' ' C ' ' A' ' 12' ' ' DBB . 0.0 OUTLIER -65.83 -41.68 91.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 113.562 -1.653 . . . . 0.0 110.374 -179.73 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.63 ' SG ' ' O ' ' A' ' 13' ' ' DAL . 0.9 OUTLIER . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.041 -0.98 . . . . 0.0 110.688 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.331 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.568 ' NH1' ' O ' ' A' ' 18' ' ' DBU . 94.1 mtt-85 -63.68 -39.13 93.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.373 . . . . 0.0 110.358 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.455 HG23 ' HA ' ' A' ' 7' ' ' PRO . 92.4 mt -66.96 -25.24 33.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.292 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -62.96 -42.14 99.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.502 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.679 ' SG ' ' O ' ' A' ' 17' ' ' GLY . 18.5 p -131.0 80.25 69.77 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.266 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.455 ' HA ' HG23 ' A' ' 3' ' ' ILE . 24.1 Cg_exo -60.16 143.24 99.54 Favored 'Trans proline' 0 C--N 1.304 -1.788 0 C-N-CA 122.664 2.243 . . . . 0.0 111.866 -179.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 49.85 15.51 0.17 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.752 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 7' ' ' PRO . . . -76.84 -13.94 83.09 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 62.5 -82.42 0.03 OUTLIER Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.12 -39.24 95.57 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 110.169 -1.172 . . . . 0.0 110.169 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' DBB . . . . . 0.634 ' HG1' ' C ' ' A' ' 16' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' DAL . . . . . 0.637 ' C ' ' N ' ' A' ' 15' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.639 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 13.0 pt-20 -42.68 -18.83 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 178.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.637 ' N ' ' C ' ' A' ' 13' ' ' DAL . 85.6 mt-30 -55.86 -9.49 0.58 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.752 179.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' DBB . . . . . 0.634 ' C ' ' HG1' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.679 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -30.06 153.63 0.0 OUTLIER Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' DBU . . . . . 0.568 ' O ' ' NH1' ' A' ' 2' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.617 ' SG ' ' N ' ' A' ' 14' ' ' GLU . 1.7 p -137.38 18.22 2.94 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.188 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.639 ' SG ' ' O ' ' A' ' 14' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.494 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.408 ' O ' ' HB3' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.49 2.294 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.49 ' HG2' ' CG ' ' A' ' 18' ' ' DBU . 41.5 ttm180 -61.47 -44.32 97.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.974 0.416 . . . . 0.0 110.604 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.442 ' O ' ' CG2' ' A' ' 3' ' ' ILE . 74.3 mt -77.26 -1.03 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.572 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.408 ' HB3' ' O ' ' A' ' 1' ' ' GLY . 66.1 t0 -61.13 -40.98 95.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.543 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' DBU . . . . . 0.508 ' O ' ' HD3' ' A' ' 7' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.49 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 3.6 t -66.73 109.63 3.74 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.393 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.587 ' O ' ' N ' ' A' ' 9' ' ' GLY . 48.9 Cg_endo -72.47 108.87 2.62 Favored 'Trans proline' 0 C--N 1.303 -1.839 0 C-N-CA 122.417 2.078 . . . . 0.0 111.813 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 7' ' ' PRO . . . 38.86 22.21 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.518 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.587 ' N ' ' O ' ' A' ' 7' ' ' PRO . . . -94.08 116.69 5.31 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.37 -33.87 87.56 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.355 -1.098 . . . . 0.0 110.355 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.533 ' C ' ' H ' ' A' ' 13' ' ' DAL . . . -95.11 56.24 1.8 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' DBB . . . . . 0.632 ' CG ' ' N ' ' A' ' 16' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' DAL . . . . . 0.552 ' O ' ' SG ' ' A' ' 19' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -69.89 -10.57 58.99 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.484 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.547 ' HB2' ' CG ' ' A' ' 12' ' ' DBB . 70.1 mt-30 -62.29 -24.14 67.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.885 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' DBB . . . . . 0.632 ' N ' ' CG ' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.554 ' O ' ' O ' ' A' ' 12' ' ' DBB . . . -33.7 159.1 0.01 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' DBU . . . . . 0.49 ' CG ' ' HG2' ' A' ' 2' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.552 ' SG ' ' O ' ' A' ' 13' ' ' DAL . 13.1 p -135.04 -32.15 0.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.837 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.536 ' C ' ' O ' ' A' ' 19' ' ' CYS . 0.9 OUTLIER . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.635 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.584 ' O ' ' N ' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.491 2.314 0 N-CA-C 109.596 -1.401 . . . . 0.0 109.596 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.564 ' C ' ' O ' ' A' ' 1' ' ' GLY . 31.1 mmt180 22.96 -120.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.721 0.296 . . . . 0.0 110.978 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.419 HD12 HG22 ' A' ' 3' ' ' ILE . 42.9 mm -67.35 -25.49 33.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.792 0.33 . . . . 0.0 110.793 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.584 ' N ' ' O ' ' A' ' 1' ' ' GLY . 92.7 m-20 -61.74 -42.32 98.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.74 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' DBU . . . . . 0.514 ' HG1' ' CA ' ' A' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.646 ' SG ' ' O ' ' A' ' 17' ' ' GLY . 2.8 p -111.99 76.64 1.8 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.54 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.5 ' O ' ' HB1' ' A' ' 8' ' ' ALA . 35.2 Cg_endo -65.56 147.29 86.37 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.808 2.339 . . . . 0.0 112.096 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.5 ' HB1' ' O ' ' A' ' 7' ' ' PRO . . . 77.6 -24.64 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.471 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.487 ' H ' ' C ' ' A' ' 7' ' ' PRO . . . -85.64 -7.76 81.29 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.548 ' O ' ' C ' ' A' ' 11' ' ' GLY . . . 53.65 -89.2 0.01 OUTLIER Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.506 -1.038 . . . . 0.0 110.506 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.548 ' C ' ' O ' ' A' ' 10' ' ' GLY . . . -28.98 -93.64 0.01 OUTLIER Glycine 0 CA--C 1.52 0.384 0 N-CA-C 110.403 -1.079 . . . . 0.0 110.403 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' DBB . . . . . 0.681 ' HG2' ' C ' ' A' ' 16' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' DAL . . . . . 0.664 ' O ' ' SG ' ' A' ' 19' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -55.07 -17.48 4.04 Favored 'General case' 0 C--N 1.342 0.25 0 O-C-N 121.865 -0.522 . . . . 0.0 110.381 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.549 ' CB ' ' HG3' ' A' ' 12' ' ' DBB . 25.9 mt-30 -63.12 -24.47 67.91 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.647 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' DBB . . . . . 0.681 ' C ' ' HG2' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.646 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -30.53 151.77 0.01 OUTLIER Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' DBU . . . . . 0.481 ' CG ' ' HA ' ' A' ' 2' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.664 ' SG ' ' O ' ' A' ' 13' ' ' DAL . 29.3 p -113.81 -3.89 13.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.408 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.601 ' SG ' ' O ' ' A' ' 16' ' ' DBB . 2.5 p . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.491 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.342 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.492 ' C ' ' H ' ' A' ' 4' ' ' ASP . 94.6 mtt-85 -67.22 153.62 43.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.933 0.397 . . . . 0.0 110.323 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.586 ' O ' ' CG2' ' A' ' 3' ' ' ILE . 3.0 mt 51.43 11.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.491 -179.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.51 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 46.6 t0 -96.63 109.42 22.04 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.423 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' DBU . . . . . 0.431 ' C ' ' HD3' ' A' ' 7' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.666 ' SG ' ' O ' ' A' ' 17' ' ' GLY . 14.9 p -110.11 69.75 0.54 Allowed Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 115.087 -0.961 . . . . 0.0 110.623 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.504 ' C ' ' H ' ' A' ' 9' ' ' GLY . 21.9 Cg_endo -62.51 143.26 92.78 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.633 2.222 . . . . 0.0 111.497 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 59.72 3.55 0.46 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.334 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.504 ' H ' ' C ' ' A' ' 7' ' ' PRO . . . -83.53 109.77 3.2 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 110.577 -1.009 . . . . 0.0 110.577 179.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.3 -33.73 81.78 Favored Glycine 0 CA--C 1.519 0.299 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.513 ' C ' ' H ' ' A' ' 13' ' ' DAL . . . -101.57 63.66 0.51 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.269 -1.132 . . . . 0.0 110.269 179.198 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' DBB . . . . . 0.631 ' HG2' ' C ' ' A' ' 16' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' DAL . . . . . 0.533 ' HB1' ' O ' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -51.52 -14.58 0.33 Allowed 'General case' 0 C--O 1.232 0.14 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.78 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.57 ' HB3' ' CG ' ' A' ' 12' ' ' DBB . 59.0 tt0 -61.83 -31.18 71.4 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' DBB . . . . . 0.631 ' C ' ' HG2' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.666 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -34.36 163.93 0.01 OUTLIER Glycine 0 CA--C 1.521 0.459 0 N-CA-C 111.336 -0.705 . . . . 0.0 111.336 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.536 ' N ' ' O ' ' A' ' 12' ' ' DBB . 14.1 p -129.97 6.22 5.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.17 -179.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.599 ' HB2' ' C ' ' A' ' 16' ' ' DBB . 1.3 m . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.463 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.357 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.568 ' NH1' ' O ' ' A' ' 18' ' ' DBU . 39.7 mmt180 -67.7 150.81 48.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.799 0.333 . . . . 0.0 110.574 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.4 mp 61.07 2.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.493 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.488 ' H ' ' C ' ' A' ' 2' ' ' ARG . 42.3 t0 -94.72 110.73 22.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.584 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' DBU . . . . . 0.578 ' C ' ' H ' ' A' ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.682 ' SG ' ' O ' ' A' ' 17' ' ' GLY . 14.8 p -134.31 61.42 49.87 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.358 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.544 ' HD3' ' N ' ' A' ' 6' ' ' CYS . 38.5 Cg_exo -60.0 143.12 99.6 Favored 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 122.821 2.347 . . . . 0.0 112.018 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 67.91 -5.95 0.78 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.528 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.597 ' O ' ' N ' ' A' ' 11' ' ' GLY . . . -88.79 76.23 1.89 Allowed Glycine 0 CA--C 1.522 0.51 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.495 ' C ' ' O ' ' A' ' 9' ' ' GLY . . . -31.17 -33.2 0.01 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' A' ' 9' ' ' GLY . . . -98.21 63.83 0.84 Allowed Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' DBB . . . . . 0.626 ' HG3' ' C ' ' A' ' 16' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' DAL . . . . . 0.601 ' C ' ' H ' ' A' ' 15' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.573 ' O ' ' HG2' ' A' ' 16' ' ' DBB . 49.8 tp10 -53.13 -7.72 0.09 Allowed 'General case' 0 N--CA 1.455 -0.186 0 CA-C-O 120.802 0.334 . . . . 0.0 110.514 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.601 ' H ' ' C ' ' A' ' 13' ' ' DAL . 86.9 mt-30 -67.98 -23.99 65.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.569 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' DBB . . . . . 0.626 ' C ' ' HG3' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.682 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -36.36 165.84 0.01 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' DBU . . . . . 0.568 ' O ' ' NH1' ' A' ' 2' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.627 ' SG ' ' N ' ' A' ' 20' ' ' CYS . 8.2 p -137.04 -44.46 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.136 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.627 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--O 1.221 -0.413 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.566 -179.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.581 ' O ' ' N ' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.49 2.283 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.57 ' O ' ' CB ' ' A' ' 18' ' ' DBU . 84.7 mtt85 32.8 -98.99 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.646 0.26 . . . . 0.0 110.741 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.469 ' CG2' ' HA ' ' A' ' 7' ' ' PRO . 94.6 mt -63.07 -42.74 97.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.072 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.581 ' N ' ' O ' ' A' ' 1' ' ' GLY . 97.6 m-20 -48.69 137.16 12.48 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.365 -179.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' DBU . . . . . 0.633 ' C ' ' HA3' ' A' ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.603 ' SG ' ' HA3' ' A' ' 9' ' ' GLY . 16.6 t -132.8 63.18 66.36 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.686 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.548 ' O ' ' N ' ' A' ' 9' ' ' GLY . 27.9 Cg_exo -58.47 139.02 88.95 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.27 1.98 . . . . 0.0 111.42 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 42.41 17.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.609 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.603 ' HA3' ' SG ' ' A' ' 6' ' ' CYS . . . -101.69 68.53 0.4 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.709 -0.956 . . . . 0.0 110.709 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.516 ' C ' ' O ' ' A' ' 9' ' ' GLY . . . -29.78 -54.52 0.2 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.529 -1.029 . . . . 0.0 110.529 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.535 ' C ' ' H ' ' A' ' 13' ' ' DAL . . . -77.89 48.52 3.0 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.431 -1.068 . . . . 0.0 110.431 179.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' DBB . . . . . 0.72 ' C ' ' SG ' ' A' ' 19' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' DAL . . . . . 0.635 ' CB ' ' O ' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.509 ' O ' ' HG2' ' A' ' 14' ' ' GLU . 80.4 tt0 -73.01 -0.28 13.37 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.872 -179.551 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.616 ' CB ' ' CG ' ' A' ' 12' ' ' DBB . 31.8 mt-30 -122.65 27.48 7.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.753 -179.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' DBB . . . . . 0.736 ' C ' ' HB2' ' A' ' 20' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.651 ' O ' ' N ' ' A' ' 20' ' ' CYS . . . 25.12 -144.71 0.01 OUTLIER Glycine 0 CA--C 1.527 0.806 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' DBU . . . . . 0.646 ' C ' ' O ' ' A' ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.72 ' SG ' ' C ' ' A' ' 12' ' ' DBB . 0.0 OUTLIER -70.98 -37.26 72.73 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 114.147 -1.388 . . . . 0.0 111.647 -179.083 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.736 ' HB2' ' C ' ' A' ' 16' ' ' DBB . 0.0 OUTLIER . . . . . 0 C--O 1.218 -0.597 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.609 -179.561 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.505 ' O ' ' HG2' ' A' ' 18' ' ' DBU . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.563 ' O ' ' CG ' ' A' ' 18' ' ' DBU . 62.6 ttt180 -69.34 -17.4 63.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.83 0.348 . . . . 0.0 110.83 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.455 HG23 ' O ' ' A' ' 3' ' ' ILE . 36.4 mm -104.33 3.2 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.623 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.513 ' O ' ' HA3' ' A' ' 17' ' ' GLY . 84.3 m-20 -65.06 140.25 58.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.4 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' DBU . . . . . 0.557 ' O ' ' N ' ' A' ' 7' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.66 ' SG ' ' O ' ' A' ' 17' ' ' GLY . 20.4 p -25.81 91.2 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.607 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.557 ' N ' ' O ' ' A' ' 5' ' ' DBU . 36.3 Cg_endo -65.58 144.56 79.29 Favored 'Trans proline' 0 C--N 1.304 -1.8 0 C-N-CA 122.875 2.383 . . . . 0.0 112.018 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 46.38 15.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.797 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.591 ' O ' ' N ' ' A' ' 11' ' ' GLY . . . -80.08 -6.5 89.14 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 48.7 -83.41 0.01 OUTLIER Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.591 ' N ' ' O ' ' A' ' 9' ' ' GLY . . . -52.93 -27.05 28.46 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' DBB . . . . . 0.579 ' O ' ' O ' ' A' ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' DAL . . . . . 0.634 ' C ' ' H ' ' A' ' 15' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.562 ' O ' ' HG1' ' A' ' 16' ' ' DBB . 97.1 mt-10 -50.44 -9.16 0.04 OUTLIER 'General case' 0 C--N 1.339 0.115 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.671 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.634 ' H ' ' C ' ' A' ' 13' ' ' DAL . 87.8 mt-30 -70.63 8.26 0.9 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.959 0.409 . . . . 0.0 110.609 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' DBB . . . . . 0.578 ' O ' ' O ' ' A' ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.66 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -26.25 147.98 0.01 OUTLIER Glycine 0 CA--C 1.522 0.486 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 -179.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' DBU . . . . . 0.563 ' CG ' ' O ' ' A' ' 2' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.507 ' SG ' ' N ' ' A' ' 14' ' ' GLU . 6.3 p -131.65 10.57 4.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.386 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.538 ' HB3' ' O ' ' A' ' 16' ' ' DBB . 0.5 OUTLIER . . . . . 0 C--O 1.221 -0.41 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.778 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.553 ' O ' ' N ' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.491 2.347 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.57 ' HA ' ' N ' ' A' ' 18' ' ' DBU . 84.5 mtp180 34.71 -92.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.715 0.293 . . . . 0.0 110.61 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.536 ' N ' ' O ' ' A' ' 1' ' ' GLY . 60.0 mt -63.92 -43.78 97.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.588 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.553 ' N ' ' O ' ' A' ' 1' ' ' GLY . 54.3 m-20 -62.69 -36.49 83.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.548 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' DBU . . . . . 0.48 ' CG ' ' H2 ' ' A' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.617 ' SG ' ' HD2' ' A' ' 7' ' ' PRO . 16.0 t -74.12 137.67 75.69 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.752 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.617 ' HD2' ' SG ' ' A' ' 6' ' ' CYS . 53.0 Cg_endo -73.02 53.91 2.54 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.853 2.368 . . . . 0.0 112.094 -179.504 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 7' ' ' PRO . . . 81.91 -7.56 1.37 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.608 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.568 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -74.01 129.38 11.68 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.17 -39.73 98.28 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.615 ' O ' ' N ' ' A' ' 13' ' ' DAL . . . -64.74 -39.53 96.73 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' DBB . . . . . 0.571 ' HG3' ' N ' ' A' ' 16' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' DAL . . . . . 0.615 ' N ' ' O ' ' A' ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.607 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 57.5 mp0 -44.08 -15.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.758 0.313 . . . . 0.0 110.545 179.37 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.593 ' N ' ' C ' ' A' ' 13' ' ' DAL . 88.8 mt-30 -57.43 -25.73 60.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.593 179.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' DBB . . . . . 0.571 ' N ' ' HG3' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.549 ' O ' ' HB2' ' A' ' 6' ' ' CYS . . . -49.95 125.55 19.68 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' DBU . . . . . 0.57 ' N ' ' HA ' ' A' ' 2' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.416 ' N ' ' HB1' ' A' ' 13' ' ' DAL . 9.2 p -154.38 30.15 0.43 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.078 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.607 ' SG ' ' O ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.218 -0.553 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.609 179.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.32 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.47 ' O ' ' HG2' ' A' ' 18' ' ' DBU . 91.5 mtm180 -61.55 -43.07 99.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.777 0.322 . . . . 0.0 110.529 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.8 mm -69.43 -23.02 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.596 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.605 ' O ' ' CA ' ' A' ' 17' ' ' GLY . 44.7 t0 -69.48 103.35 2.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.652 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' DBU . . . . . 0.558 ' O ' ' HD3' ' A' ' 7' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.468 ' HB2' ' HG3' ' A' ' 12' ' ' DBB . 2.0 t -74.06 107.76 4.05 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.456 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.558 ' HD3' ' O ' ' A' ' 5' ' ' DBU . 36.5 Cg_endo -66.21 96.31 0.33 Allowed 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.861 2.374 . . . . 0.0 112.073 179.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 43.28 21.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.58 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 7' ' ' PRO . . . -89.5 124.14 7.23 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.33 -36.32 93.24 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.548 ' O ' ' HB2' ' A' ' 12' ' ' DBB . . . -89.86 50.37 3.43 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' DBB . . . . . 0.618 ' CG ' ' N ' ' A' ' 16' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' DAL . . . . . 0.568 ' O ' ' SG ' ' A' ' 19' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -67.93 -17.95 64.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.828 0.347 . . . . 0.0 110.581 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.54 ' HB2' ' HG2' ' A' ' 12' ' ' DBB . 24.3 mt-30 -55.93 -23.77 33.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.547 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' DBB . . . . . 0.618 ' N ' ' CG ' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.605 ' CA ' ' O ' ' A' ' 4' ' ' ASP . . . -31.19 155.04 0.01 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' DBU . . . . . 0.47 ' HG2' ' O ' ' A' ' 2' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.568 ' SG ' ' O ' ' A' ' 13' ' ' DAL . 18.7 p -136.52 -29.1 0.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.09 -179.636 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.481 ' C ' ' O ' ' A' ' 19' ' ' CYS . 1.3 m . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.944 -1.027 . . . . 0.0 110.544 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.473 ' O ' ' HB2' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.491 2.333 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.554 ' O ' ' HG1' ' A' ' 18' ' ' DBU . 79.9 mtp85 -64.59 -37.55 87.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.788 0.328 . . . . 0.0 110.579 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.544 ' O ' ' O ' ' A' ' 6' ' ' CYS . 7.8 mt -88.92 14.55 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.637 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.473 ' HB2' ' O ' ' A' ' 1' ' ' GLY . 54.9 m-20 -64.01 -36.67 84.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.56 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' DBU . . . . . 0.462 ' C ' ' H ' ' A' ' 18' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.634 ' SG ' ' O ' ' A' ' 16' ' ' DBB . 49.7 m -83.29 144.66 47.09 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.33 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.606 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 56.1 Cg_endo -75.08 49.26 2.23 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.823 2.349 . . . . 0.0 112.018 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.606 ' CB ' ' O ' ' A' ' 7' ' ' PRO . . . 88.85 33.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.524 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.96 6.14 83.79 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 -100.92 1.58 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.12 -42.17 96.95 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' DBB . . . . . 0.61 ' HA ' ' CG ' ' A' ' 18' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' DAL . . . . . 0.62 ' C ' ' H ' ' A' ' 15' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.558 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 49.0 tp10 -49.32 -11.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.843 0.354 . . . . 0.0 110.599 179.369 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.62 ' H ' ' C ' ' A' ' 13' ' ' DAL . 89.0 mt-30 -65.5 -8.1 17.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.574 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' DBB . . . . . 0.65 ' O ' ' C ' ' A' ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.65 ' C ' ' O ' ' A' ' 16' ' ' DBB . . . 12.97 -128.25 0.01 OUTLIER Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' DBU . . . . . 0.631 ' C ' ' O ' ' A' ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.563 ' N ' ' O ' ' A' ' 17' ' ' GLY . 12.3 p -113.0 -10.11 13.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.323 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.637 ' HB3' ' C ' ' A' ' 16' ' ' DBB . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.54 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.517 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.514 ' O ' ' CG ' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.49 2.297 0 N-CA-C 109.471 -1.452 . . . . 0.0 109.471 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 79.8 mtp85 -59.98 -35.8 75.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.798 0.333 . . . . 0.0 110.532 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.611 ' O ' ' N ' ' A' ' 6' ' ' CYS . 0.2 OUTLIER -58.22 -39.78 74.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.331 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.604 ' N ' HG12 ' A' ' 3' ' ' ILE . 93.4 m-20 26.24 57.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.597 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' DBU . . . . . 0.637 ' C ' ' HA3' ' A' ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.611 ' N ' ' O ' ' A' ' 3' ' ' ILE . 12.5 t -143.41 65.93 15.34 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.272 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -69.16 20.69 0.15 Allowed 'Trans proline' 0 C--N 1.302 -1.884 0 C-N-CA 122.957 2.438 . . . . 0.0 112.181 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.519 ' H ' ' C ' ' A' ' 6' ' ' CYS . . . -111.1 -28.15 8.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.648 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.473 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -165.64 156.0 27.67 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.62 -34.38 89.75 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.599 ' O ' ' N ' ' A' ' 13' ' ' DAL . . . -61.91 -38.94 96.85 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' DBB . . . . . 0.58 ' CG ' ' N ' ' A' ' 16' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' DAL . . . . . 0.599 ' N ' ' O ' ' A' ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.458 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 12.7 pt-20 -70.36 -11.84 61.18 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-O 120.888 0.375 . . . . 0.0 110.532 178.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.499 ' C ' ' HG1' ' A' ' 12' ' ' DBB . 38.7 mm-40 -62.2 -9.56 8.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.575 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' DBB . . . . . 0.58 ' N ' ' CG ' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.637 ' HA3' ' C ' ' A' ' 5' ' ' DBU . . . -29.34 140.44 0.02 OUTLIER Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' DBU . . . . . 0.448 ' HG2' ' HB2' ' A' ' 4' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 20' ' ' CYS . 5.0 p -142.28 7.02 1.75 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.972 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.458 ' SG ' ' O ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 118.137 -0.935 . . . . 0.0 110.615 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.51 ' O ' ' HB2' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.491 2.319 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.507 ' O ' ' HG2' ' A' ' 18' ' ' DBU . 63.7 mtm180 -64.82 -39.19 93.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.693 0.282 . . . . 0.0 110.535 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.443 HG23 ' HA ' ' A' ' 7' ' ' PRO . 44.4 mm -58.83 -4.9 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.512 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.51 ' HB2' ' O ' ' A' ' 1' ' ' GLY . 55.1 m-20 -64.26 -39.04 93.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.539 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' DBU . . . . . 0.508 ' CB ' ' HA3' ' A' ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.698 ' SG ' ' C ' ' A' ' 17' ' ' GLY . 1.0 OUTLIER -101.79 92.64 3.02 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.512 179.856 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.501 ' HD3' ' O ' ' A' ' 5' ' ' DBU . 48.2 Cg_endo -71.23 125.9 11.82 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.769 2.313 . . . . 0.0 112.183 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 7' ' ' PRO . . . 77.42 -20.19 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.56 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.481 ' C ' ' H ' ' A' ' 11' ' ' GLY . . . -63.59 -37.55 94.93 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.41 ' HA2' HD11 ' A' ' 3' ' ' ILE . . . 75.57 -36.09 1.18 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.555 ' O ' ' CG ' ' A' ' 18' ' ' DBU . . . -90.88 -94.14 1.26 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' DBB . . . . . 0.656 ' CG ' ' N ' ' A' ' 16' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' DAL . . . . . 0.579 ' N ' ' HG3' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -57.3 -12.28 2.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.837 0.351 . . . . 0.0 110.613 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.534 ' CB ' ' HG2' ' A' ' 12' ' ' DBB . 24.4 mt-30 -64.02 -29.76 70.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.559 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' DBB . . . . . 0.656 ' N ' ' CG ' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.698 ' C ' ' SG ' ' A' ' 6' ' ' CYS . . . -39.03 170.14 0.01 OUTLIER Glycine 0 CA--C 1.526 0.775 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' DBU . . . . . 0.555 ' CG ' ' O ' ' A' ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.643 ' SG ' ' O ' ' A' ' 12' ' ' DBB . 25.5 p -103.32 -54.37 2.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.471 -179.498 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.548 ' C ' ' O ' ' A' ' 19' ' ' CYS . 78.6 m . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.573 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.54 ' O ' ' N ' ' A' ' 3' ' ' ILE . . . . . . . . 0 N--CA 1.488 2.162 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.572 ' O ' ' O ' ' A' ' 10' ' ' GLY . 8.3 ttp180 56.13 -80.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.745 0.307 . . . . 0.0 110.739 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.54 ' N ' ' O ' ' A' ' 1' ' ' GLY . 6.1 mt -123.0 9.69 5.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.531 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.539 ' N ' ' HG1' ' A' ' 18' ' ' DBU . 43.1 t0 -92.29 108.67 20.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.592 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' DBU . . . . . 0.666 ' C ' ' HA3' ' A' ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.668 ' SG ' ' C ' ' A' ' 17' ' ' GLY . 0.8 OUTLIER -114.7 74.12 3.18 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.003 179.833 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.66 ' HD3' ' C ' ' A' ' 5' ' ' DBU . 39.7 Cg_exo -59.07 143.02 99.96 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.827 2.352 . . . . 0.0 112.233 -179.524 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 72.45 -8.84 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.617 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 11' ' ' GLY . . . -86.8 -6.04 80.39 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.572 ' O ' ' O ' ' A' ' 2' ' ' ARG . . . 57.06 -81.39 0.01 OUTLIER Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 9' ' ' GLY . . . -49.85 -89.17 0.01 OUTLIER Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' DBB . . . . . 0.633 ' O ' ' SG ' ' A' ' 19' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' DAL . . . . . 0.624 ' C ' ' H ' ' A' ' 15' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.603 ' O ' ' CG ' ' A' ' 16' ' ' DBB . 78.7 mm-40 -48.66 -10.84 0.03 OUTLIER 'General case' 0 C--N 1.343 0.301 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.567 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.624 ' H ' ' C ' ' A' ' 13' ' ' DAL . 1.9 tp60 -60.63 -24.11 65.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.365 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' DBB . . . . . 0.653 ' O ' ' O ' ' A' ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.668 ' C ' ' SG ' ' A' ' 6' ' ' CYS . . . -44.33 -170.34 0.01 OUTLIER Glycine 0 CA--C 1.528 0.894 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' DBU . . . . . 0.539 ' HG1' ' N ' ' A' ' 4' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.633 ' SG ' ' O ' ' A' ' 12' ' ' DBB . 18.7 p -139.12 -39.09 0.49 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.79 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.579 ' HB3' ' O ' ' A' ' 16' ' ' DBB . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.597 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.351 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.576 ' O ' ' CG ' ' A' ' 18' ' ' DBU . 92.7 mtm-85 -63.69 -37.25 86.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.81 0.338 . . . . 0.0 110.419 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.433 HG21 HD12 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -107.43 8.79 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.537 -179.874 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.498 ' C ' ' H ' ' A' ' 6' ' ' CYS . 64.3 t0 -49.64 114.02 0.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.43 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.594 ' SG ' ' HD2' ' A' ' 7' ' ' PRO . 15.2 t -61.6 140.6 95.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.38 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.594 ' HD2' ' SG ' ' A' ' 6' ' ' CYS . 41.2 Cg_endo -68.65 76.92 0.75 Allowed 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.73 2.287 . . . . 0.0 112.397 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.483 ' O ' ' C ' ' A' ' 9' ' ' GLY . . . 70.25 -52.6 0.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.669 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' A' ' 8' ' ' ALA . . . -31.12 124.28 0.17 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.881 -0.887 . . . . 0.0 110.881 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.53 -43.74 98.59 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 13' ' ' DAL . . . -65.75 -42.81 95.04 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' DBB . . . . . 0.575 ' CG ' ' N ' ' A' ' 16' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' DAL . . . . . 0.596 ' C ' ' H ' ' A' ' 15' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.55 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 68.4 mm-40 -47.07 -14.17 0.03 OUTLIER 'General case' 0 C--O 1.231 0.115 0 CA-C-O 120.776 0.322 . . . . 0.0 110.453 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.596 ' H ' ' C ' ' A' ' 13' ' ' DAL . 77.3 mt-30 -57.42 -29.59 64.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.565 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' DBB . . . . . 0.683 ' C ' ' HB2' ' A' ' 20' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.712 ' O ' ' C ' ' A' ' 18' ' ' DBU . . . 11.25 -118.11 0.01 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' DBU . . . . . 0.712 ' C ' ' O ' ' A' ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.59 ' N ' ' O ' ' A' ' 17' ' ' GLY . 13.9 p -117.3 -5.04 11.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.472 -179.564 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.683 ' HB2' ' C ' ' A' ' 16' ' ' DBB . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.586 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.331 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.35 -38.28 90.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.873 0.368 . . . . 0.0 110.609 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.425 ' O ' HG21 ' A' ' 3' ' ' ILE . 91.6 mt -66.23 -23.97 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.553 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -61.25 -43.8 98.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.616 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' DBU . . . . . 0.489 ' CA ' ' HA3' ' A' ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.551 ' HB3' ' CG ' ' A' ' 18' ' ' DBU . 22.6 t -111.56 97.4 36.48 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.286 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.622 ' O ' ' N ' ' A' ' 9' ' ' GLY . 33.3 Cg_exo -56.18 126.42 22.3 Favored 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 122.285 1.99 . . . . 0.0 111.737 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.544 ' C ' ' O ' ' A' ' 7' ' ' PRO . . . 25.41 40.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.927 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.622 ' N ' ' O ' ' A' ' 7' ' ' PRO . . . -109.55 116.98 4.69 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.83 -49.32 64.02 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.552 ' O ' ' N ' ' A' ' 13' ' ' DAL . . . -64.62 -49.12 66.13 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 110.457 -1.057 . . . . 0.0 110.457 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' DBB . . . . . 0.627 ' O ' ' CB ' ' A' ' 13' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' DAL . . . . . 0.627 ' CB ' ' O ' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -65.62 -34.01 77.24 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.92 0.391 . . . . 0.0 110.479 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.583 ' CB ' ' CG ' ' A' ' 12' ' ' DBB . 5.9 mm-40 -63.14 -30.19 71.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.527 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' DBB . . . . . 0.594 ' O ' ' C ' ' A' ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.654 ' O ' ' C ' ' A' ' 18' ' ' DBU . . . 10.56 -128.03 0.01 OUTLIER Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.659 -0.576 . . . . 0.0 111.659 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' DBU . . . . . 0.654 ' C ' ' O ' ' A' ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.55 ' SG ' ' C ' ' A' ' 12' ' ' DBB . 0.0 OUTLIER -59.76 -39.87 86.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 113.877 -1.511 . . . . 0.0 110.054 -179.683 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.641 ' N ' ' O ' ' A' ' 17' ' ' GLY . 20.0 m . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.313 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.477 ' O ' ' HB3' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.504 ' C ' ' H ' ' A' ' 4' ' ' ASP . 89.6 mtm180 -65.91 153.4 42.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.845 0.355 . . . . 0.0 110.635 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.581 ' O ' ' CG2' ' A' ' 3' ' ' ILE . 3.9 mt 46.67 14.11 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.601 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.506 ' O ' ' HA3' ' A' ' 17' ' ' GLY . 67.9 t0 -98.75 98.52 9.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.568 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' DBU . . . . . 0.612 ' C ' ' HD3' ' A' ' 7' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.544 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 7.9 t -129.6 60.33 50.73 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.795 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.612 ' HD3' ' C ' ' A' ' 5' ' ' DBU . 35.6 Cg_exo -60.09 140.29 91.77 Favored 'Trans proline' 0 C--N 1.303 -1.839 0 C-N-CA 122.708 2.272 . . . . 0.0 112.066 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 40.3 18.75 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.568 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.605 ' N ' ' O ' ' A' ' 7' ' ' PRO . . . -78.2 -28.28 56.32 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.78 -90.26 1.66 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.608 ' O ' ' N ' ' A' ' 13' ' ' DAL . . . -63.37 -38.8 96.98 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' DBB . . . . . 0.629 ' CG ' ' CB ' ' A' ' 15' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' DAL . . . . . 0.666 ' CB ' ' N ' ' A' ' 19' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -67.05 -21.33 65.91 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-O 120.863 0.363 . . . . 0.0 110.632 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.629 ' CB ' ' CG ' ' A' ' 12' ' ' DBB . 9.6 mm-40 -64.69 -30.97 72.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.633 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' DBB . . . . . 0.605 ' N ' ' CG ' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.594 ' O ' ' O ' ' A' ' 12' ' ' DBB . . . -52.21 136.09 35.27 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 111.121 -0.791 . . . . 0.0 111.121 -179.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' DBU . . . . . 0.497 ' HG2' ' HB3' ' A' ' 6' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.666 ' N ' ' CB ' ' A' ' 13' ' ' DAL . 8.3 p -174.23 26.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.787 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.523 ' HB2' ' O ' ' A' ' 16' ' ' DBB . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.559 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.469 ' HA2' ' OD1' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.492 2.371 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.614 ' O ' ' CG ' ' A' ' 18' ' ' DBU . 86.5 mtm-85 -76.88 19.55 0.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.788 0.327 . . . . 0.0 110.548 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.498 ' CG2' ' HA ' ' A' ' 7' ' ' PRO . 4.4 mt -141.75 1.27 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.496 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.469 ' OD1' ' HA2' ' A' ' 1' ' ' GLY . 1.8 m-20 -65.94 -37.18 85.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.519 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' DBU . . . . . 0.518 ' O ' ' HD3' ' A' ' 7' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.672 ' SG ' ' O ' ' A' ' 17' ' ' GLY . 1.7 p -99.21 90.94 1.24 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.286 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.518 ' HD3' ' O ' ' A' ' 5' ' ' DBU . 28.3 Cg_endo -62.68 140.62 81.83 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.818 2.346 . . . . 0.0 112.139 -178.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 58.08 5.23 0.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.566 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.48 ' H ' ' C ' ' A' ' 7' ' ' PRO . . . -91.59 3.88 78.99 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.506 ' O ' ' C ' ' A' ' 11' ' ' GLY . . . 44.81 -106.58 0.11 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.506 ' C ' ' O ' ' A' ' 10' ' ' GLY . . . -30.8 -75.64 0.04 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' DBB . . . . . 0.656 ' HG2' ' C ' ' A' ' 16' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' DAL . . . . . 0.596 ' C ' ' H ' ' A' ' 15' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 56.8 mp0 -44.85 -15.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.743 0.306 . . . . 0.0 110.527 179.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.596 ' H ' ' C ' ' A' ' 13' ' ' DAL . 93.8 mt-30 -59.56 -19.18 46.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.593 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' DBB . . . . . 0.663 ' O ' ' O ' ' A' ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.672 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -39.19 176.41 0.01 OUTLIER Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.404 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' DBU . . . . . 0.614 ' CG ' ' O ' ' A' ' 2' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.536 ' O ' ' C ' ' A' ' 20' ' ' CYS . 20.2 p -147.09 -41.23 0.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.211 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.62 ' HB2' ' C ' ' A' ' 16' ' ' DBB . 1.3 m . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.623 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.523 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 88.9 mmt-85 . . . . . 0 N--CA 1.456 -0.133 0 CA-C-O 120.876 0.37 . . . . 0.0 110.326 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.523 ' HB ' ' O ' ' A' ' 2' ' ' ARG . 46.6 mm 72.67 -14.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.464 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.457 ' H ' ' C ' ' A' ' 2' ' ' ARG . 64.7 t0 . . . . . 0 C--N 1.331 -0.212 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.536 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.46 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 15.6 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.766 0.317 . . . . 0.0 110.594 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.508 ' HA ' HG23 ' A' ' 3' ' ' ILE . 23.8 Cg_exo -60.49 143.64 99.47 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.604 2.203 . . . . 0.0 111.675 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 46.54 14.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.532 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.488 ' N ' ' C ' ' A' ' 7' ' ' PRO . . . -117.54 100.78 0.89 Allowed Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.23 -36.18 93.07 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.316 -1.114 . . . . 0.0 110.316 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.624 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 179.686 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.525 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 49.5 tp10 . . . . . 0 CA--C 1.529 0.136 0 CA-C-O 120.859 0.361 . . . . 0.0 110.173 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.986 179.83 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.519 ' O ' ' OXT' ' A' ' 20' ' ' CYS . 6.6 p . . . . . 0 N--CA 1.456 -0.144 0 CA-C-O 120.704 0.288 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.519 ' OXT' ' O ' ' A' ' 19' ' ' CYS . 0.4 OUTLIER . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.643 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.406 ' C ' ' H ' ' A' ' 4' ' ' ASP . 84.3 mtt85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.829 0.347 . . . . 0.0 110.578 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.52 HG22 ' O ' ' A' ' 3' ' ' ILE . 95.8 mt -56.83 -8.24 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.595 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.406 ' H ' ' C ' ' A' ' 2' ' ' ARG . 46.3 p-10 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.575 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.46 ' SG ' ' O ' ' A' ' 9' ' ' GLY . 13.3 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.866 0.365 . . . . 0.0 110.466 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.592 ' O ' ' N ' ' A' ' 9' ' ' GLY . 32.8 Cg_exo -56.05 135.35 69.39 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.789 2.326 . . . . 0.0 112.153 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.462 ' C ' ' O ' ' A' ' 7' ' ' PRO . . . 34.92 27.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.582 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.592 ' N ' ' O ' ' A' ' 7' ' ' PRO . . . -114.07 60.66 0.37 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.551 ' C ' ' O ' ' A' ' 9' ' ' GLY . . . -26.03 -42.91 0.01 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 9' ' ' GLY . . . . . . . . 0 CA--C 1.526 0.72 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.401 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 21.6 pt-20 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.815 0.341 . . . . 0.0 110.547 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.553 -179.938 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 p . . . . . 0 CA--C 1.528 0.125 0 N-CA-C 111.306 0.113 . . . . 0.0 111.306 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.59 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.4 ' HA ' ' HD3' ' A' ' 2' ' ' ARG . 89.4 mmt-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.827 0.346 . . . . 0.0 110.366 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.445 ' O ' ' O ' ' A' ' 6' ' ' CYS . 42.2 mm -67.24 -26.36 36.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.548 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 58.3 t0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.658 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.575 ' SG ' ' HD2' ' A' ' 7' ' ' PRO . 47.7 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.834 0.349 . . . . 0.0 110.177 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.575 ' HD2' ' SG ' ' A' ' 6' ' ' CYS . 46.1 Cg_endo -71.56 54.71 1.98 Allowed 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 122.795 2.33 . . . . 0.0 112.283 -179.677 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 45.04 36.59 2.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.4 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.45 10.31 67.03 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.555 ' O ' ' C ' ' A' ' 11' ' ' GLY . . . 75.11 -92.86 0.85 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.344 -1.102 . . . . 0.0 110.344 -179.667 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.555 ' C ' ' O ' ' A' ' 10' ' ' GLY . . . . . . . . 0 CA--C 1.521 0.467 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.869 0.366 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.381 -179.577 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.205 0 CA-C-O 120.786 0.327 . . . . 0.0 110.374 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.041 -0.98 . . . . 0.0 110.688 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.884 0.373 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 92.4 mt -66.96 -25.24 33.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.292 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 64.8 t0 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.502 179.904 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.659 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 18.5 p . . . . . 0 C--O 1.23 0.065 0 CA-C-O 121.237 0.542 . . . . 0.0 110.266 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.406 ' C ' ' N ' ' A' ' 9' ' ' GLY . 24.1 Cg_exo -60.16 143.24 99.54 Favored 'Trans proline' 0 C--N 1.304 -1.788 0 C-N-CA 122.664 2.243 . . . . 0.0 111.866 -179.669 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 49.85 15.51 0.17 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.752 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 7' ' ' PRO . . . -76.84 -13.94 83.09 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 62.5 -82.42 0.03 OUTLIER Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.383 0 N-CA-C 110.169 -1.172 . . . . 0.0 110.169 179.7 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.639 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 13.0 pt-20 . . . . . 0 N--CA 1.455 -0.198 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 . . . . . 0 C--N 1.332 -0.16 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.752 179.599 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.619 ' SG ' ' N ' ' A' ' 14' ' ' GLU . 1.7 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.615 0.245 . . . . 0.0 111.188 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.639 ' SG ' ' O ' ' A' ' 14' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.494 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.974 0.416 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.614 HG22 ' O ' ' A' ' 3' ' ' ILE . 74.3 mt -77.26 -1.03 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.572 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 66.1 t0 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.543 -179.7 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.6 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.74 0.305 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.587 ' O ' ' N ' ' A' ' 9' ' ' GLY . 48.9 Cg_endo -72.47 108.87 2.62 Favored 'Trans proline' 0 C--N 1.303 -1.839 0 C-N-CA 122.417 2.078 . . . . 0.0 111.813 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 7' ' ' PRO . . . 38.86 22.21 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.518 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.587 ' N ' ' O ' ' A' ' 7' ' ' PRO . . . -94.08 116.69 5.31 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.37 -33.87 87.56 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.355 -1.098 . . . . 0.0 110.355 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.676 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 179.819 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 120.673 0.273 . . . . 0.0 110.484 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.885 179.637 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.536 ' O ' ' C ' ' A' ' 20' ' ' CYS . 13.1 p . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.692 0.282 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.536 ' C ' ' O ' ' A' ' 19' ' ' CYS . 0.9 OUTLIER . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.635 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.721 0.296 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.404 HD12 HG23 ' A' ' 3' ' ' ILE . 42.9 mm -67.35 -25.49 33.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.792 0.33 . . . . 0.0 110.793 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.74 -179.773 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.8 p . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.895 0.378 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.633 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 35.2 Cg_endo -65.56 147.29 86.37 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.808 2.339 . . . . 0.0 112.096 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 7' ' ' PRO . . . 77.6 -24.64 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.471 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 11' ' ' GLY . . . -85.64 -7.76 81.29 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.548 ' O ' ' C ' ' A' ' 11' ' ' GLY . . . 53.65 -89.2 0.01 OUTLIER Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.506 -1.038 . . . . 0.0 110.506 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.548 ' C ' ' O ' ' A' ' 10' ' ' GLY . . . . . . . . 0 CA--C 1.52 0.384 0 N-CA-C 110.403 -1.079 . . . . 0.0 110.403 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.789 0.328 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 . . . . . 0 C--N 1.331 -0.203 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.647 179.616 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 29.3 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.861 0.362 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.5 p . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.491 179.701 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.458 ' C ' ' H ' ' A' ' 4' ' ' ASP . 94.6 mtt-85 . . . . . 0 CA--C 1.522 -0.126 0 CA-C-O 120.933 0.397 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.775 HG22 ' O ' ' A' ' 3' ' ' ILE . 3.0 mt 51.43 11.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.491 -179.684 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.458 ' H ' ' C ' ' A' ' 2' ' ' ARG . 46.6 t0 . . . . . 0 C--N 1.331 -0.202 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.423 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.644 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 14.9 p . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 121.228 0.537 . . . . 0.0 110.623 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.463 ' C ' ' H ' ' A' ' 9' ' ' GLY . 21.9 Cg_endo -62.51 143.26 92.78 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.633 2.222 . . . . 0.0 111.497 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 59.72 3.55 0.46 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.334 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.463 ' H ' ' C ' ' A' ' 7' ' ' PRO . . . -83.53 109.77 3.2 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 110.577 -1.009 . . . . 0.0 110.577 179.68 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.3 -33.73 81.78 Favored Glycine 0 CA--C 1.519 0.299 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.575 0 N-CA-C 110.269 -1.132 . . . . 0.0 110.269 179.198 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.594 0.235 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 . . . . . 0 C--N 1.331 -0.226 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -179.908 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.1 p . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.557 0.218 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.463 179.7 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.459 ' C ' HD12 ' A' ' 3' ' ' ILE . 39.7 mmt180 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.799 0.333 . . . . 0.0 110.574 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.459 HD12 ' C ' ' A' ' 2' ' ' ARG . 1.4 mp 61.07 2.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.493 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.443 ' H ' ' C ' ' A' ' 2' ' ' ARG . 42.3 t0 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.584 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.657 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 14.8 p . . . . . 0 CA--C 1.523 -0.069 0 CA-C-O 121.156 0.503 . . . . 0.0 110.358 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.548 ' HD3' ' N ' ' A' ' 6' ' ' CYS . 38.5 Cg_exo -60.0 143.12 99.6 Favored 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 122.821 2.347 . . . . 0.0 112.018 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 7' ' ' PRO . . . 67.91 -5.95 0.78 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.528 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.597 ' O ' ' N ' ' A' ' 11' ' ' GLY . . . -88.79 76.23 1.89 Allowed Glycine 0 CA--C 1.522 0.51 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.495 ' C ' ' O ' ' A' ' 9' ' ' GLY . . . -31.17 -33.2 0.01 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' A' ' 9' ' ' GLY . . . . . . . . 0 CA--C 1.523 0.574 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.52 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 49.8 tp10 . . . . . 0 N--CA 1.455 -0.186 0 CA-C-O 120.802 0.334 . . . . 0.0 110.514 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.569 179.858 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.627 ' SG ' ' N ' ' A' ' 20' ' ' CYS . 8.2 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.615 0.245 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.627 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--O 1.221 -0.413 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.566 -179.639 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 84.7 mtt85 . . . . . 0 CA--C 1.528 0.102 0 CA-C-O 120.646 0.26 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.612 HG23 ' HA ' ' A' ' 7' ' ' PRO . 94.6 mt -63.07 -42.74 97.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.072 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 . . . . . 0 C--N 1.328 -0.339 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.365 -179.626 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.596 ' SG ' ' HA3' ' A' ' 9' ' ' GLY . 16.6 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.636 0.255 . . . . 0.0 110.686 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.612 ' HA ' HG23 ' A' ' 3' ' ' ILE . 27.9 Cg_exo -58.47 139.02 88.95 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.27 1.98 . . . . 0.0 111.42 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 42.41 17.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.609 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.596 ' HA3' ' SG ' ' A' ' 6' ' ' CYS . . . -101.69 68.53 0.4 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.709 -0.956 . . . . 0.0 110.709 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.516 ' C ' ' O ' ' A' ' 9' ' ' GLY . . . -29.78 -54.52 0.2 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.529 -1.029 . . . . 0.0 110.529 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.551 0 N-CA-C 110.431 -1.068 . . . . 0.0 110.431 179.501 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.519 ' O ' ' HG2' ' A' ' 14' ' ' GLU . 80.4 tt0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.741 0.305 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.753 -179.526 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.5 ' O ' ' C ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.492 0 CA-C-O 120.734 0.302 . . . . 0.0 111.647 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.5 ' C ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.218 -0.597 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.609 -179.561 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 120.83 0.348 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.53 HG22 ' O ' ' A' ' 3' ' ' ILE . 36.4 mm -104.33 3.2 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.623 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.4 -179.848 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.643 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 20.4 p . . . . . 0 C--O 1.233 0.218 0 CA-C-O 121.144 0.497 . . . . 0.0 110.607 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.48 ' O ' ' N ' ' A' ' 9' ' ' GLY . 36.3 Cg_endo -65.58 144.56 79.29 Favored 'Trans proline' 0 C--N 1.304 -1.8 0 C-N-CA 122.875 2.383 . . . . 0.0 112.018 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 46.38 15.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.797 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.591 ' O ' ' N ' ' A' ' 11' ' ' GLY . . . -80.08 -6.5 89.14 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 48.7 -83.41 0.01 OUTLIER Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.591 ' N ' ' O ' ' A' ' 9' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.707 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.53 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 97.1 mt-10 . . . . . 0 CA--C 1.527 0.085 0 CA-C-O 120.637 0.256 . . . . 0.0 110.671 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.959 0.409 . . . . 0.0 110.609 179.817 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.53 ' SG ' ' N ' ' A' ' 14' ' ' GLU . 6.3 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.556 0.217 . . . . 0.0 111.386 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.221 -0.41 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.778 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.715 0.293 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 60.0 mt -63.92 -43.78 97.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.588 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.548 179.917 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.617 ' SG ' ' HD2' ' A' ' 7' ' ' PRO . 16.0 t . . . . . 0 C--O 1.231 0.114 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.691 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 53.0 Cg_endo -73.02 53.91 2.54 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.853 2.368 . . . . 0.0 112.094 -179.504 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 7' ' ' PRO . . . 81.91 -7.56 1.37 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.608 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.555 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -74.01 129.38 11.68 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.17 -39.73 98.28 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.612 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.793 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.607 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 57.5 mp0 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.758 0.313 . . . . 0.0 110.545 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.593 179.527 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 9.2 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.569 0.223 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.607 ' SG ' ' O ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.218 -0.553 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.609 179.659 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 91.5 mtm180 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.777 0.322 . . . . 0.0 110.529 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.418 HD13 ' HA ' ' A' ' 3' ' ' ILE . 43.8 mm -69.43 -23.02 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.596 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 44.7 t0 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.652 179.907 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.0 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.56 0.219 . . . . 0.0 110.456 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 9' ' ' GLY . 36.5 Cg_endo -66.21 96.31 0.33 Allowed 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.861 2.374 . . . . 0.0 112.073 179.346 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 43.28 21.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.58 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 7' ' ' PRO . . . -89.5 124.14 7.23 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.33 -36.32 93.24 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.67 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.864 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.828 0.347 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.547 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.481 ' O ' ' C ' ' A' ' 20' ' ' CYS . 18.7 p . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.619 0.247 . . . . 0.0 111.09 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.481 ' C ' ' O ' ' A' ' 19' ' ' CYS . 1.3 m . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.944 -1.027 . . . . 0.0 110.544 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 79.9 mtp85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.788 0.328 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.624 HG21 ' HA ' ' A' ' 8' ' ' ALA . 7.8 mt -88.92 14.55 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.637 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.56 179.904 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.544 ' O ' ' O ' ' A' ' 3' ' ' ILE . 49.7 m . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.895 0.379 . . . . 0.0 110.33 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.748 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 56.1 Cg_endo -75.08 49.26 2.23 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.823 2.349 . . . . 0.0 112.018 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.748 ' HB3' ' O ' ' A' ' 7' ' ' PRO . . . 88.85 33.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.524 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.96 6.14 83.79 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 -100.92 1.58 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.743 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.595 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.567 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 49.0 tp10 . . . . . 0 N--CA 1.458 -0.049 0 CA-C-O 120.843 0.354 . . . . 0.0 110.599 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.574 179.882 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.567 ' SG ' ' N ' ' A' ' 14' ' ' GLU . 12.3 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.368 0.128 . . . . 0.0 111.323 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.535 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.54 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.517 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 79.8 mtp85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.798 0.333 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.638 HD13 ' N ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -58.22 -39.78 74.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.331 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.593 ' N ' HG12 ' A' ' 3' ' ' ILE . 93.4 m-20 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.597 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.611 ' N ' ' O ' ' A' ' 3' ' ' ILE . 12.5 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.001 0.429 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -69.16 20.69 0.15 Allowed 'Trans proline' 0 C--N 1.302 -1.884 0 C-N-CA 122.957 2.438 . . . . 0.0 112.181 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.485 ' H ' ' C ' ' A' ' 6' ' ' CYS . . . -111.1 -28.15 8.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.648 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -165.64 156.0 27.67 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.62 -34.38 89.75 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.651 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.479 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 12.7 pt-20 . . . . . 0 CA--C 1.527 0.094 0 CA-C-O 120.888 0.375 . . . . 0.0 110.532 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.575 179.759 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 20' ' ' CYS . 5.0 p . . . . . 0 CA--C 1.526 0.057 0 CA-C-O 120.6 0.238 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.479 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 118.137 -0.935 . . . . 0.0 110.615 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.435 ' C ' ' H ' ' A' ' 4' ' ' ASP . 63.7 mtm180 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.693 0.282 . . . . 0.0 110.535 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.566 HG22 ' O ' ' A' ' 3' ' ' ILE . 44.4 mm -58.83 -4.9 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.512 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.435 ' H ' ' C ' ' A' ' 2' ' ' ARG . 55.1 m-20 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.539 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.685 0.279 . . . . 0.0 110.512 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.633 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 48.2 Cg_endo -71.23 125.9 11.82 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.769 2.313 . . . . 0.0 112.183 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 7' ' ' PRO . . . 77.42 -20.19 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.56 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.433 ' C ' ' H ' ' A' ' 11' ' ' GLY . . . -63.59 -37.55 94.93 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.542 ' HA2' HD11 ' A' ' 3' ' ' ILE . . . 75.57 -36.09 1.18 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.433 ' H ' ' C ' ' A' ' 9' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.709 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.837 0.351 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.559 -179.76 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.548 ' O ' ' C ' ' A' ' 20' ' ' CYS . 25.5 p . . . . . 0 C--O 1.231 0.115 0 N-CA-C 111.471 0.174 . . . . 0.0 111.471 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.548 ' C ' ' O ' ' A' ' 19' ' ' CYS . 78.6 m . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.573 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.572 ' O ' ' O ' ' A' ' 10' ' ' GLY . 8.3 ttp180 . . . . . 0 CA--C 1.524 -0.053 0 CA-C-O 120.745 0.307 . . . . 0.0 110.739 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.713 HG22 ' O ' ' A' ' 3' ' ' ILE . 6.1 mt -123.0 9.69 5.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.531 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 43.1 t0 . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.592 -179.841 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.149 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.57 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 39.7 Cg_exo -59.07 143.02 99.96 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.827 2.352 . . . . 0.0 112.233 -179.524 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 7' ' ' PRO . . . 72.45 -8.84 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.617 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 11' ' ' GLY . . . -86.8 -6.04 80.39 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.572 ' O ' ' O ' ' A' ' 2' ' ' ARG . . . 57.06 -81.39 0.01 OUTLIER Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 9' ' ' GLY . . . . . . . . 0 CA--C 1.526 0.765 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 120.619 0.247 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.365 -179.945 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.453 ' SG ' ' N ' ' A' ' 20' ' ' CYS . 18.7 p . . . . . 0 CA--C 1.53 0.207 0 CA-C-O 120.72 0.295 . . . . 0.0 110.79 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.453 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.597 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 92.7 mtm-85 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.81 0.338 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.728 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -107.43 8.79 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.537 -179.874 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 64.3 t0 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.43 -179.805 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.589 ' SG ' ' HD2' ' A' ' 7' ' ' PRO . 15.2 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.736 0.303 . . . . 0.0 110.38 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.589 ' HD2' ' SG ' ' A' ' 6' ' ' CYS . 41.2 Cg_endo -68.65 76.92 0.75 Allowed 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.73 2.287 . . . . 0.0 112.397 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 7' ' ' PRO . . . 70.25 -52.6 0.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.669 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' A' ' 8' ' ' ALA . . . -31.12 124.28 0.17 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.881 -0.887 . . . . 0.0 110.881 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.53 -43.74 98.59 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.723 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.781 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.55 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 68.4 mm-40 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.776 0.322 . . . . 0.0 110.453 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.565 179.775 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.489 ' O ' ' C ' ' A' ' 20' ' ' CYS . 13.9 p . . . . . 0 N--CA 1.461 0.092 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.55 ' SG ' ' O ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.586 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.873 0.368 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 91.6 mt -66.23 -23.97 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.553 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.616 179.964 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.532 ' SG ' ' HA3' ' A' ' 9' ' ' GLY . 22.6 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.749 0.309 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.622 ' O ' ' N ' ' A' ' 9' ' ' GLY . 33.3 Cg_exo -56.18 126.42 22.3 Favored 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 122.285 1.99 . . . . 0.0 111.737 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.544 ' C ' ' O ' ' A' ' 7' ' ' PRO . . . 25.41 40.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.927 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.622 ' N ' ' O ' ' A' ' 7' ' ' PRO . . . -109.55 116.98 4.69 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.83 -49.32 64.02 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.514 ' O ' ' SG ' ' A' ' 19' ' ' CYS . . . . . . . . 0 CA--C 1.52 0.369 0 N-CA-C 110.457 -1.057 . . . . 0.0 110.457 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.92 0.391 . . . . 0.0 110.479 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.527 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.514 ' SG ' ' O ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.233 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.0 m . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.313 179.637 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 4' ' ' ASP . 89.6 mtm180 . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.845 0.355 . . . . 0.0 110.635 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.811 HG22 ' O ' ' A' ' 3' ' ' ILE . 3.9 mt 46.67 14.11 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.601 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 2' ' ' ARG . 67.9 t0 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.568 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.547 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 7.9 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.779 0.323 . . . . 0.0 110.795 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.605 ' O ' ' N ' ' A' ' 9' ' ' GLY . 35.6 Cg_exo -60.09 140.29 91.77 Favored 'Trans proline' 0 C--N 1.303 -1.839 0 C-N-CA 122.708 2.272 . . . . 0.0 112.066 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 40.3 18.75 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.568 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.605 ' N ' ' O ' ' A' ' 7' ' ' PRO . . . -78.2 -28.28 56.32 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.78 -90.26 1.66 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.737 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.798 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 . . . . . 0 N--CA 1.461 0.095 0 CA-C-O 120.863 0.363 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.633 -179.774 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.409 ' O ' ' OXT' ' A' ' 20' ' ' CYS . 8.3 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.75 0.31 . . . . 0.0 110.787 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.409 ' OXT' ' O ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.559 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.489 ' C ' HG13 ' A' ' 3' ' ' ILE . 86.5 mtm-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.788 0.327 . . . . 0.0 110.548 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.611 HG22 ' O ' ' A' ' 3' ' ' ILE . 4.4 mt -141.75 1.27 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.496 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.519 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.439 ' HA ' ' HD2' ' A' ' 7' ' ' PRO . 1.7 p . . . . . 0 C--O 1.232 0.151 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.545 ' HA ' ' CG2' ' A' ' 3' ' ' ILE . 28.3 Cg_endo -62.68 140.62 81.83 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.818 2.346 . . . . 0.0 112.139 -178.502 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 58.08 5.23 0.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.566 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.441 ' H ' ' C ' ' A' ' 7' ' ' PRO . . . -91.59 3.88 78.99 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.506 ' O ' ' C ' ' A' ' 11' ' ' GLY . . . 44.81 -106.58 0.11 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.506 ' C ' ' O ' ' A' ' 10' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.659 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 56.8 mp0 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.743 0.306 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.593 179.835 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.536 ' O ' ' C ' ' A' ' 20' ' ' CYS . 20.2 p . . . . . 0 CA--C 1.534 0.347 0 N-CA-C 111.211 0.078 . . . . 0.0 111.211 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.536 ' C ' ' O ' ' A' ' 19' ' ' CYS . 1.3 m . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.623 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.523 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 88.9 mmt-85 -67.71 148.82 50.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.876 0.37 . . . . 0.0 110.326 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.523 ' HB ' ' O ' ' A' ' 2' ' ' ARG . 46.6 mm 72.67 -14.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.464 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.457 ' H ' ' C ' ' A' ' 2' ' ' ARG . 64.7 t0 -63.2 -41.22 99.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.536 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' DBU . . . . . 0.631 ' C ' ' HD3' ' A' ' 7' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.503 ' HB2' ' HG3' ' A' ' 12' ' ' DBB . 15.6 t -125.66 64.27 48.86 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.594 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.631 ' HD3' ' C ' ' A' ' 5' ' ' DBU . 23.8 Cg_exo -60.49 143.64 99.47 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.604 2.203 . . . . 0.0 111.675 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 46.54 14.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.532 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.488 ' N ' ' C ' ' A' ' 7' ' ' PRO . . . -117.54 100.78 0.89 Allowed Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.23 -36.18 93.07 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.316 -1.114 . . . . 0.0 110.316 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.524 ' O ' ' HB3' ' A' ' 12' ' ' DBB . . . -94.41 60.39 1.86 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' DBB . . . . . 0.876 ' HA ' ' HG2' ' A' ' 18' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' DAL . . . . . 0.477 ' O ' ' HB3' ' A' ' 20' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.563 ' O ' ' HG3' ' A' ' 16' ' ' DBB . 49.5 tp10 -70.01 -4.55 21.39 Favored 'General case' 0 C--N 1.343 0.3 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.173 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.647 ' O ' ' HG2' ' A' ' 16' ' ' DBB . 99.3 mm-40 -65.7 -26.12 67.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.986 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' DBB . . . . . 0.7 ' H ' ' HG2' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.667 ' O ' ' C ' ' A' ' 18' ' ' DBU . . . 2.54 -109.23 0.01 OUTLIER Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.513 -0.635 . . . . 0.0 111.513 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' DBU . . . . . 0.876 ' HG2' ' HA ' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.583 ' N ' ' O ' ' A' ' 17' ' ' GLY . 6.6 p -126.69 -21.66 4.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.971 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.519 ' OXT' ' O ' ' A' ' 19' ' ' CYS . 0.4 OUTLIER . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.643 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.616 ' O ' ' N ' ' A' ' 3' ' ' ILE . . . . . . . . 0 N--CA 1.491 2.311 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 1' ' ' GLY . 84.3 mtt85 36.38 -88.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.829 0.347 . . . . 0.0 110.578 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.616 ' N ' ' O ' ' A' ' 1' ' ' GLY . 95.8 mt -56.83 -8.24 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.595 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.594 ' OD1' ' N ' ' A' ' 5' ' ' DBU . 46.3 p-10 -66.77 -37.52 84.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.575 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' DBU . . . . . 0.6 ' C ' ' HD3' ' A' ' 7' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.575 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 13.3 t -119.31 72.87 13.95 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.466 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.6 ' HD3' ' C ' ' A' ' 5' ' ' DBU . 32.8 Cg_exo -56.05 135.35 69.39 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.789 2.326 . . . . 0.0 112.153 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.462 ' C ' ' O ' ' A' ' 7' ' ' PRO . . . 34.92 27.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.582 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.592 ' N ' ' O ' ' A' ' 7' ' ' PRO . . . -114.07 60.66 0.37 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.551 ' C ' ' O ' ' A' ' 9' ' ' GLY . . . -26.03 -42.91 0.01 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 9' ' ' GLY . . . -84.85 51.83 4.61 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.58 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' DBB . . . . . 0.735 ' HG2' ' H ' ' A' ' 16' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' DAL . . . . . 0.568 ' C ' ' H ' ' A' ' 15' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.401 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 21.6 pt-20 -50.26 -10.93 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.341 . . . . 0.0 110.547 179.445 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.658 ' O ' ' HG3' ' A' ' 16' ' ' DBB . 13.4 tp60 -59.52 -28.1 66.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.553 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' DBB . . . . . 0.735 ' H ' ' HG2' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.575 ' O ' ' HB2' ' A' ' 6' ' ' CYS . . . -28.68 151.64 0.0 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 p -136.41 -6.39 2.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.306 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.615 ' HB2' ' C ' ' A' ' 16' ' ' DBB . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.59 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.328 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.669 ' O ' ' HG3' ' A' ' 18' ' ' DBU . 89.4 mmt-85 -63.16 -39.14 93.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.827 0.346 . . . . 0.0 110.366 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.445 ' O ' ' O ' ' A' ' 6' ' ' CYS . 42.2 mm -67.24 -26.36 36.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.548 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -63.48 -40.06 96.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.658 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' DBU . . . . . 0.607 ' C ' ' HA3' ' A' ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.843 ' CB ' ' HG2' ' A' ' 18' ' ' DBU . 47.7 t -70.18 137.52 86.89 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.177 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.575 ' HD2' ' SG ' ' A' ' 6' ' ' CYS . 46.1 Cg_endo -71.56 54.71 1.98 Allowed 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 122.795 2.33 . . . . 0.0 112.283 -179.677 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 45.04 36.59 2.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.4 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.45 10.31 67.03 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.555 ' O ' ' C ' ' A' ' 11' ' ' GLY . . . 75.11 -92.86 0.85 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.344 -1.102 . . . . 0.0 110.344 -179.667 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.555 ' C ' ' O ' ' A' ' 10' ' ' GLY . . . -29.72 -67.2 0.11 Allowed Glycine 0 CA--C 1.521 0.467 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 179.594 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' DBB . . . . . 0.766 ' O ' ' HB3' ' A' ' 13' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' DAL . . . . . 0.766 ' HB3' ' O ' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -69.71 -25.74 64.0 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.726 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.737 ' HB3' ' HG1' ' A' ' 12' ' ' DBB . 1.2 mm-40 -77.26 -11.04 59.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.381 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' DBB . . . . . 0.596 ' O ' ' O ' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.648 ' O ' ' C ' ' A' ' 18' ' ' DBU . . . 13.83 -128.27 0.01 OUTLIER Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.674 -0.57 . . . . 0.0 111.674 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' DBU . . . . . 0.843 ' HG2' ' CB ' ' A' ' 6' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.622 ' SG ' ' C ' ' A' ' 12' ' ' DBB . 0.0 OUTLIER -65.83 -41.68 91.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 113.562 -1.653 . . . . 0.0 110.374 -179.73 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.63 ' SG ' ' O ' ' A' ' 13' ' ' DAL . 0.9 OUTLIER . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.041 -0.98 . . . . 0.0 110.688 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.331 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.568 ' NH1' ' O ' ' A' ' 18' ' ' DBU . 94.1 mtt-85 -63.68 -39.13 93.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.373 . . . . 0.0 110.358 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 92.4 mt -66.96 -25.24 33.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.292 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -62.96 -42.14 99.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.502 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.679 ' SG ' ' O ' ' A' ' 17' ' ' GLY . 18.5 p -131.0 80.25 69.77 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.266 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.406 ' C ' ' N ' ' A' ' 9' ' ' GLY . 24.1 Cg_exo -60.16 143.24 99.54 Favored 'Trans proline' 0 C--N 1.304 -1.788 0 C-N-CA 122.664 2.243 . . . . 0.0 111.866 -179.669 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 49.85 15.51 0.17 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.752 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 7' ' ' PRO . . . -76.84 -13.94 83.09 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 62.5 -82.42 0.03 OUTLIER Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.12 -39.24 95.57 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 110.169 -1.172 . . . . 0.0 110.169 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' DBB . . . . . 0.616 ' HA ' ' HG2' ' A' ' 18' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' DAL . . . . . 0.637 ' C ' ' N ' ' A' ' 15' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.639 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 13.0 pt-20 -42.68 -18.83 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 178.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.637 ' N ' ' C ' ' A' ' 13' ' ' DAL . 85.6 mt-30 -55.86 -9.49 0.58 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.752 179.599 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' DBB . . . . . 0.618 ' C ' ' HB2' ' A' ' 20' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.679 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -30.06 153.63 0.0 OUTLIER Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' DBU . . . . . 0.616 ' HG2' ' HA ' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.617 ' SG ' ' N ' ' A' ' 14' ' ' GLU . 1.7 p -137.38 18.22 2.94 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.188 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.639 ' SG ' ' O ' ' A' ' 14' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.494 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.431 ' O ' ' HB3' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.49 2.294 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.893 ' HG2' ' HG3' ' A' ' 18' ' ' DBU . 41.5 ttm180 -61.47 -44.32 97.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.974 0.416 . . . . 0.0 110.604 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.614 ' O ' HG22 ' A' ' 3' ' ' ILE . 74.3 mt -77.26 -1.03 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.572 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.431 ' HB3' ' O ' ' A' ' 1' ' ' GLY . 66.1 t0 -61.13 -40.98 95.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.543 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' DBU . . . . . 0.519 ' CA ' ' H ' ' A' ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.518 ' HB2' ' HG3' ' A' ' 12' ' ' DBB . 3.6 t -66.73 109.63 3.74 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.393 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.587 ' O ' ' N ' ' A' ' 9' ' ' GLY . 48.9 Cg_endo -72.47 108.87 2.62 Favored 'Trans proline' 0 C--N 1.303 -1.839 0 C-N-CA 122.417 2.078 . . . . 0.0 111.813 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 7' ' ' PRO . . . 38.86 22.21 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.518 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.587 ' N ' ' O ' ' A' ' 7' ' ' PRO . . . -94.08 116.69 5.31 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.37 -33.87 87.56 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.355 -1.098 . . . . 0.0 110.355 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.522 ' O ' ' HB3' ' A' ' 12' ' ' DBB . . . -95.11 56.24 1.8 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' DBB . . . . . 0.855 ' HG2' ' H ' ' A' ' 16' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' DAL . . . . . 0.552 ' O ' ' SG ' ' A' ' 19' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -69.89 -10.57 58.99 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.484 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.571 ' HB2' ' CG ' ' A' ' 12' ' ' DBB . 70.1 mt-30 -62.29 -24.14 67.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.885 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' DBB . . . . . 0.855 ' H ' ' HG2' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.554 ' O ' ' O ' ' A' ' 12' ' ' DBB . . . -33.7 159.1 0.01 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' DBU . . . . . 0.893 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.552 ' SG ' ' O ' ' A' ' 13' ' ' DAL . 13.1 p -135.04 -32.15 0.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.837 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.536 ' C ' ' O ' ' A' ' 19' ' ' CYS . 0.9 OUTLIER . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.635 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.584 ' O ' ' N ' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.491 2.314 0 N-CA-C 109.596 -1.401 . . . . 0.0 109.596 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.953 ' HA ' ' HG3' ' A' ' 18' ' ' DBU . 31.1 mmt180 22.96 -120.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.721 0.296 . . . . 0.0 110.978 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.404 HD12 HG23 ' A' ' 3' ' ' ILE . 42.9 mm -67.35 -25.49 33.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.792 0.33 . . . . 0.0 110.793 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.584 ' N ' ' O ' ' A' ' 1' ' ' GLY . 92.7 m-20 -61.74 -42.32 98.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.74 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' DBU . . . . . 0.465 ' HG2' ' CA ' ' A' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.646 ' SG ' ' O ' ' A' ' 17' ' ' GLY . 2.8 p -111.99 76.64 1.8 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.54 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.633 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 35.2 Cg_endo -65.56 147.29 86.37 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.808 2.339 . . . . 0.0 112.096 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 7' ' ' PRO . . . 77.6 -24.64 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.471 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 11' ' ' GLY . . . -85.64 -7.76 81.29 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.548 ' O ' ' C ' ' A' ' 11' ' ' GLY . . . 53.65 -89.2 0.01 OUTLIER Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.506 -1.038 . . . . 0.0 110.506 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.548 ' C ' ' O ' ' A' ' 10' ' ' GLY . . . -28.98 -93.64 0.01 OUTLIER Glycine 0 CA--C 1.52 0.384 0 N-CA-C 110.403 -1.079 . . . . 0.0 110.403 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' DBB . . . . . 0.684 ' HG3' ' C ' ' A' ' 16' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' DAL . . . . . 0.664 ' O ' ' SG ' ' A' ' 19' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.554 ' O ' ' HG3' ' A' ' 16' ' ' DBB . 75.2 mm-40 -55.07 -17.48 4.04 Favored 'General case' 0 C--N 1.342 0.25 0 O-C-N 121.865 -0.522 . . . . 0.0 110.381 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.571 ' HB2' ' HG2' ' A' ' 12' ' ' DBB . 25.9 mt-30 -63.12 -24.47 67.91 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.647 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' DBB . . . . . 0.684 ' C ' ' HG3' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.646 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -30.53 151.77 0.01 OUTLIER Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' DBU . . . . . 0.953 ' HG3' ' HA ' ' A' ' 2' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.664 ' SG ' ' O ' ' A' ' 13' ' ' DAL . 29.3 p -113.81 -3.89 13.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.408 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.601 ' SG ' ' O ' ' A' ' 16' ' ' DBB . 2.5 p . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.491 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.342 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.458 ' C ' ' H ' ' A' ' 4' ' ' ASP . 94.6 mtt-85 -67.22 153.62 43.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.933 0.397 . . . . 0.0 110.323 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.775 ' O ' HG22 ' A' ' 3' ' ' ILE . 3.0 mt 51.43 11.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.491 -179.684 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.521 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 46.6 t0 -96.63 109.42 22.04 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.423 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' DBU . . . . . 0.456 ' C ' ' HD3' ' A' ' 7' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.666 ' SG ' ' O ' ' A' ' 17' ' ' GLY . 14.9 p -110.11 69.75 0.54 Allowed Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 115.087 -0.961 . . . . 0.0 110.623 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.463 ' C ' ' H ' ' A' ' 9' ' ' GLY . 21.9 Cg_endo -62.51 143.26 92.78 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.633 2.222 . . . . 0.0 111.497 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 59.72 3.55 0.46 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.334 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.463 ' H ' ' C ' ' A' ' 7' ' ' PRO . . . -83.53 109.77 3.2 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 110.577 -1.009 . . . . 0.0 110.577 179.68 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.3 -33.73 81.78 Favored Glycine 0 CA--C 1.519 0.299 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -101.57 63.66 0.51 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.269 -1.132 . . . . 0.0 110.269 179.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' DBB . . . . . 0.734 ' CG ' ' H ' ' A' ' 16' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' DAL . . . . . 0.634 ' H2 ' ' HG2' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -51.52 -14.58 0.33 Allowed 'General case' 0 C--O 1.232 0.14 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.78 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.576 ' HB3' ' CG ' ' A' ' 12' ' ' DBB . 59.0 tt0 -61.83 -31.18 71.4 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' DBB . . . . . 0.734 ' H ' ' CG ' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.666 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -34.36 163.93 0.01 OUTLIER Glycine 0 CA--C 1.521 0.459 0 N-CA-C 111.336 -0.705 . . . . 0.0 111.336 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' DBU . . . . . 0.567 ' HG2' ' HA ' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.539 ' N ' ' O ' ' A' ' 12' ' ' DBB . 14.1 p -129.97 6.22 5.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.17 -179.581 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.6 ' HB2' ' C ' ' A' ' 16' ' ' DBB . 1.3 m . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.463 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.357 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.568 ' NH1' ' O ' ' A' ' 18' ' ' DBU . 39.7 mmt180 -67.7 150.81 48.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.799 0.333 . . . . 0.0 110.574 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.459 HD12 ' C ' ' A' ' 2' ' ' ARG . 1.4 mp 61.07 2.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.493 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.463 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 42.3 t0 -94.72 110.73 22.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.584 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' DBU . . . . . 0.644 ' C ' ' H ' ' A' ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.682 ' SG ' ' O ' ' A' ' 17' ' ' GLY . 14.8 p -134.31 61.42 49.87 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.358 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.555 ' HD3' ' C ' ' A' ' 5' ' ' DBU . 38.5 Cg_exo -60.0 143.12 99.6 Favored 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 122.821 2.347 . . . . 0.0 112.018 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 7' ' ' PRO . . . 67.91 -5.95 0.78 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.528 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.597 ' O ' ' N ' ' A' ' 11' ' ' GLY . . . -88.79 76.23 1.89 Allowed Glycine 0 CA--C 1.522 0.51 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.495 ' C ' ' O ' ' A' ' 9' ' ' GLY . . . -31.17 -33.2 0.01 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' A' ' 9' ' ' GLY . . . -98.21 63.83 0.84 Allowed Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' DBB . . . . . 0.688 ' CG ' ' H ' ' A' ' 16' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' DAL . . . . . 0.639 ' H2 ' ' HG2' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.591 ' O ' ' HG3' ' A' ' 16' ' ' DBB . 49.8 tp10 -53.13 -7.72 0.09 Allowed 'General case' 0 N--CA 1.455 -0.186 0 CA-C-O 120.802 0.334 . . . . 0.0 110.514 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.571 ' H ' ' C ' ' A' ' 13' ' ' DAL . 86.9 mt-30 -67.98 -23.99 65.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.569 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' DBB . . . . . 0.688 ' H ' ' CG ' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.682 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -36.36 165.84 0.01 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' DBU . . . . . 0.568 ' O ' ' NH1' ' A' ' 2' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.627 ' SG ' ' N ' ' A' ' 20' ' ' CYS . 8.2 p -137.04 -44.46 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.136 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.627 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--O 1.221 -0.413 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.566 -179.639 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.581 ' O ' ' N ' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.49 2.283 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.57 ' O ' ' CB ' ' A' ' 18' ' ' DBU . 84.7 mtt85 32.8 -98.99 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.646 0.26 . . . . 0.0 110.741 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.612 HG23 ' HA ' ' A' ' 7' ' ' PRO . 94.6 mt -63.07 -42.74 97.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.072 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.581 ' N ' ' O ' ' A' ' 1' ' ' GLY . 97.6 m-20 -48.69 137.16 12.48 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.365 -179.626 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' DBU . . . . . 0.653 ' C ' ' HA3' ' A' ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.747 ' HB3' ' HG2' ' A' ' 18' ' ' DBU . 16.6 t -132.8 63.18 66.36 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.686 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.612 ' HA ' HG23 ' A' ' 3' ' ' ILE . 27.9 Cg_exo -58.47 139.02 88.95 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.27 1.98 . . . . 0.0 111.42 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 42.41 17.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.609 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.596 ' HA3' ' SG ' ' A' ' 6' ' ' CYS . . . -101.69 68.53 0.4 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.709 -0.956 . . . . 0.0 110.709 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.516 ' C ' ' O ' ' A' ' 9' ' ' GLY . . . -29.78 -54.52 0.2 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.529 -1.029 . . . . 0.0 110.529 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.52 ' C ' ' H2 ' ' A' ' 13' ' ' DAL . . . -77.89 48.52 3.0 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.431 -1.068 . . . . 0.0 110.431 179.501 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' DBB . . . . . 0.853 ' HG1' ' CB ' ' A' ' 15' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' DAL . . . . . 0.775 ' HB3' ' O ' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.519 ' O ' ' HG2' ' A' ' 14' ' ' GLU . 80.4 tt0 -73.01 -0.28 13.37 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.872 -179.551 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.853 ' CB ' ' HG1' ' A' ' 12' ' ' DBB . 31.8 mt-30 -122.65 27.48 7.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.753 -179.526 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' DBB . . . . . 0.749 ' HG3' ' H ' ' A' ' 20' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.653 ' HA3' ' C ' ' A' ' 5' ' ' DBU . . . 25.12 -144.71 0.01 OUTLIER Glycine 0 CA--C 1.527 0.806 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' DBU . . . . . 0.747 ' HG2' ' HB3' ' A' ' 6' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.72 ' SG ' ' C ' ' A' ' 12' ' ' DBB . 0.0 OUTLIER -70.98 -37.26 72.73 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 114.147 -1.388 . . . . 0.0 111.647 -179.083 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.749 ' H ' ' HG3' ' A' ' 16' ' ' DBB . 0.0 OUTLIER . . . . . 0 C--O 1.218 -0.597 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.609 -179.561 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.653 ' O ' ' HG1' ' A' ' 18' ' ' DBU . 62.6 ttt180 -69.34 -17.4 63.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.83 0.348 . . . . 0.0 110.83 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.53 ' O ' HG22 ' A' ' 3' ' ' ILE . 36.4 mm -104.33 3.2 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.623 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.517 ' O ' ' HA3' ' A' ' 17' ' ' GLY . 84.3 m-20 -65.06 140.25 58.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.4 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' DBU . . . . . 0.557 ' O ' ' N ' ' A' ' 7' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.66 ' SG ' ' O ' ' A' ' 17' ' ' GLY . 20.4 p -25.81 91.2 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.607 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.557 ' N ' ' O ' ' A' ' 5' ' ' DBU . 36.3 Cg_endo -65.58 144.56 79.29 Favored 'Trans proline' 0 C--N 1.304 -1.8 0 C-N-CA 122.875 2.383 . . . . 0.0 112.018 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 46.38 15.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.797 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.591 ' O ' ' N ' ' A' ' 11' ' ' GLY . . . -80.08 -6.5 89.14 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.434 ' C ' ' H1 ' ' A' ' 12' ' ' DBB . . . 48.7 -83.41 0.01 OUTLIER Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.591 ' N ' ' O ' ' A' ' 9' ' ' GLY . . . -52.93 -27.05 28.46 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' DBB . . . . . 0.781 ' HA ' ' HG2' ' A' ' 18' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' DAL . . . . . 0.599 ' C ' ' H ' ' A' ' 15' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.572 ' O ' ' HG3' ' A' ' 16' ' ' DBB . 97.1 mt-10 -50.44 -9.16 0.04 OUTLIER 'General case' 0 C--N 1.339 0.115 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.671 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.599 ' H ' ' C ' ' A' ' 13' ' ' DAL . 87.8 mt-30 -70.63 8.26 0.9 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.959 0.409 . . . . 0.0 110.609 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' DBB . . . . . 0.578 ' O ' ' O ' ' A' ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.66 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -26.25 147.98 0.01 OUTLIER Glycine 0 CA--C 1.522 0.486 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 -179.73 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' DBU . . . . . 0.781 ' HG2' ' HA ' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.507 ' SG ' ' N ' ' A' ' 14' ' ' GLU . 6.3 p -131.65 10.57 4.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.386 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.528 ' HB3' ' O ' ' A' ' 16' ' ' DBB . 0.5 OUTLIER . . . . . 0 C--O 1.221 -0.41 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.778 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.887 ' N ' ' HG2' ' A' ' 5' ' ' DBU . . . . . . . . 0 N--CA 1.491 2.347 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.688 ' CA ' ' HG3' ' A' ' 18' ' ' DBU . 84.5 mtp180 34.71 -92.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.715 0.293 . . . . 0.0 110.61 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.536 ' N ' ' O ' ' A' ' 1' ' ' GLY . 60.0 mt -63.92 -43.78 97.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.588 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.553 ' N ' ' O ' ' A' ' 1' ' ' GLY . 54.3 m-20 -62.69 -36.49 83.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.548 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' DBU . . . . . 0.887 ' HG2' ' N ' ' A' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.617 ' SG ' ' HD2' ' A' ' 7' ' ' PRO . 16.0 t -74.12 137.67 75.69 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.752 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.691 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 53.0 Cg_endo -73.02 53.91 2.54 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.853 2.368 . . . . 0.0 112.094 -179.504 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 7' ' ' PRO . . . 81.91 -7.56 1.37 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.608 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.568 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -74.01 129.38 11.68 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.17 -39.73 98.28 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.615 ' O ' ' N ' ' A' ' 13' ' ' DAL . . . -64.74 -39.53 96.73 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' DBB . . . . . 0.601 ' HG2' ' H ' ' A' ' 16' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' DAL . . . . . 0.615 ' N ' ' O ' ' A' ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.607 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 57.5 mp0 -44.08 -15.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.758 0.313 . . . . 0.0 110.545 179.37 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.593 ' N ' ' C ' ' A' ' 13' ' ' DAL . 88.8 mt-30 -57.43 -25.73 60.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.593 179.527 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' DBB . . . . . 0.601 ' H ' ' HG2' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.619 ' O ' ' HG2' ' A' ' 18' ' ' DBU . . . -49.95 125.55 19.68 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' DBU . . . . . 0.688 ' HG3' ' CA ' ' A' ' 2' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.561 ' N ' ' HB3' ' A' ' 13' ' ' DAL . 9.2 p -154.38 30.15 0.43 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.078 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.607 ' SG ' ' O ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.218 -0.553 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.609 179.659 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.32 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.548 ' HB3' ' HG3' ' A' ' 18' ' ' DBU . 91.5 mtm180 -61.55 -43.07 99.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.777 0.322 . . . . 0.0 110.529 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.418 HD13 ' HA ' ' A' ' 3' ' ' ILE . 43.8 mm -69.43 -23.02 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.596 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.605 ' O ' ' CA ' ' A' ' 17' ' ' GLY . 44.7 t0 -69.48 103.35 2.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.652 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' DBU . . . . . 0.569 ' O ' ' HD3' ' A' ' 7' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.526 ' HB2' ' HG3' ' A' ' 12' ' ' DBB . 2.0 t -74.06 107.76 4.05 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.456 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.569 ' HD3' ' O ' ' A' ' 5' ' ' DBU . 36.5 Cg_endo -66.21 96.31 0.33 Allowed 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.861 2.374 . . . . 0.0 112.073 179.346 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 43.28 21.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.58 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 7' ' ' PRO . . . -89.5 124.14 7.23 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.33 -36.32 93.24 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.552 ' O ' ' HB3' ' A' ' 12' ' ' DBB . . . -89.86 50.37 3.43 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' DBB . . . . . 0.881 ' HG2' ' H ' ' A' ' 16' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' DAL . . . . . 0.568 ' O ' ' SG ' ' A' ' 19' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -67.93 -17.95 64.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.828 0.347 . . . . 0.0 110.581 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.649 ' CB ' ' HG1' ' A' ' 12' ' ' DBB . 24.3 mt-30 -55.93 -23.77 33.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.547 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' DBB . . . . . 0.881 ' H ' ' HG2' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.605 ' CA ' ' O ' ' A' ' 4' ' ' ASP . . . -31.19 155.04 0.01 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' DBU . . . . . 0.548 ' HG3' ' HB3' ' A' ' 2' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.568 ' SG ' ' O ' ' A' ' 13' ' ' DAL . 18.7 p -136.52 -29.1 0.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.09 -179.636 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.481 ' C ' ' O ' ' A' ' 19' ' ' CYS . 1.3 m . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.944 -1.027 . . . . 0.0 110.544 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.463 ' O ' ' HB2' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.491 2.333 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.407 ' O ' ' HG1' ' A' ' 18' ' ' DBU . 79.9 mtp85 -64.59 -37.55 87.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.788 0.328 . . . . 0.0 110.579 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.624 HG21 ' HA ' ' A' ' 8' ' ' ALA . 7.8 mt -88.92 14.55 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.637 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.463 ' HB2' ' O ' ' A' ' 1' ' ' GLY . 54.9 m-20 -64.01 -36.67 84.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.56 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.634 ' SG ' ' O ' ' A' ' 16' ' ' DBB . 49.7 m -83.29 144.66 47.09 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.33 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.748 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 56.1 Cg_endo -75.08 49.26 2.23 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.823 2.349 . . . . 0.0 112.018 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.748 ' HB3' ' O ' ' A' ' 7' ' ' PRO . . . 88.85 33.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.524 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.96 6.14 83.79 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 -100.92 1.58 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.12 -42.17 96.95 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' DBB . . . . . 0.929 ' HA ' ' HG2' ' A' ' 18' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' DAL . . . . . 0.588 ' C ' ' H ' ' A' ' 15' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.645 ' O ' ' HG3' ' A' ' 16' ' ' DBB . 49.0 tp10 -49.32 -11.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.843 0.354 . . . . 0.0 110.599 179.369 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.588 ' H ' ' C ' ' A' ' 13' ' ' DAL . 89.0 mt-30 -65.5 -8.1 17.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.574 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' DBB . . . . . 0.65 ' O ' ' C ' ' A' ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.65 ' C ' ' O ' ' A' ' 16' ' ' DBB . . . 12.97 -128.25 0.01 OUTLIER Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' DBU . . . . . 0.929 ' HG2' ' HA ' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.563 ' N ' ' O ' ' A' ' 17' ' ' GLY . 12.3 p -113.0 -10.11 13.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.323 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.624 ' HB3' ' C ' ' A' ' 16' ' ' DBB . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.54 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.517 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.514 ' O ' ' CG ' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.49 2.297 0 N-CA-C 109.471 -1.452 . . . . 0.0 109.471 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.488 ' O ' ' HG1' ' A' ' 18' ' ' DBU . 79.8 mtp85 -59.98 -35.8 75.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.798 0.333 . . . . 0.0 110.532 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.638 ' N ' HD13 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -58.22 -39.78 74.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.331 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.853 ' HB2' ' HG3' ' A' ' 18' ' ' DBU . 93.4 m-20 26.24 57.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.597 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' DBU . . . . . 0.637 ' C ' ' HA3' ' A' ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.611 ' N ' ' O ' ' A' ' 3' ' ' ILE . 12.5 t -143.41 65.93 15.34 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.272 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -69.16 20.69 0.15 Allowed 'Trans proline' 0 C--N 1.302 -1.884 0 C-N-CA 122.957 2.438 . . . . 0.0 112.181 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.485 ' H ' ' C ' ' A' ' 6' ' ' CYS . . . -111.1 -28.15 8.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.648 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.473 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -165.64 156.0 27.67 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.62 -34.38 89.75 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.599 ' O ' ' N ' ' A' ' 13' ' ' DAL . . . -61.91 -38.94 96.85 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' DBB . . . . . 0.76 ' HG2' ' H ' ' A' ' 16' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' DAL . . . . . 0.599 ' N ' ' O ' ' A' ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.479 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 12.7 pt-20 -70.36 -11.84 61.18 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-O 120.888 0.375 . . . . 0.0 110.532 178.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.543 ' C ' ' HG1' ' A' ' 12' ' ' DBB . 38.7 mm-40 -62.2 -9.56 8.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.575 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' DBB . . . . . 0.76 ' H ' ' HG2' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.637 ' HA3' ' C ' ' A' ' 5' ' ' DBU . . . -29.34 140.44 0.02 OUTLIER Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' DBU . . . . . 0.853 ' HG3' ' HB2' ' A' ' 4' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.457 ' N ' ' HB3' ' A' ' 13' ' ' DAL . 5.0 p -142.28 7.02 1.75 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.972 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.479 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 118.137 -0.935 . . . . 0.0 110.615 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.502 ' O ' ' HB2' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.491 2.319 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.529 ' O ' ' HG3' ' A' ' 18' ' ' DBU . 63.7 mtm180 -64.82 -39.19 93.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.693 0.282 . . . . 0.0 110.535 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.566 ' O ' HG22 ' A' ' 3' ' ' ILE . 44.4 mm -58.83 -4.9 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.512 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.502 ' HB2' ' O ' ' A' ' 1' ' ' GLY . 55.1 m-20 -64.26 -39.04 93.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.539 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' DBU . . . . . 0.533 ' O ' ' HD3' ' A' ' 7' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.698 ' SG ' ' C ' ' A' ' 17' ' ' GLY . 1.0 OUTLIER -101.79 92.64 3.02 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.512 179.856 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.633 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 48.2 Cg_endo -71.23 125.9 11.82 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.769 2.313 . . . . 0.0 112.183 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 7' ' ' PRO . . . 77.42 -20.19 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.56 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.433 ' C ' ' H ' ' A' ' 11' ' ' GLY . . . -63.59 -37.55 94.93 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.542 ' HA2' HD11 ' A' ' 3' ' ' ILE . . . 75.57 -36.09 1.18 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.555 ' O ' ' CG ' ' A' ' 18' ' ' DBU . . . -90.88 -94.14 1.26 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' DBB . . . . . 0.977 ' CG ' ' H ' ' A' ' 16' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' DAL . . . . . 0.564 ' O ' ' SG ' ' A' ' 19' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 16' ' ' DBB . 17.2 pt-20 -57.3 -12.28 2.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.837 0.351 . . . . 0.0 110.613 179.493 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.671 ' HB2' ' HG2' ' A' ' 12' ' ' DBB . 24.4 mt-30 -64.02 -29.76 70.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.559 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' DBB . . . . . 0.977 ' H ' ' CG ' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.698 ' C ' ' SG ' ' A' ' 6' ' ' CYS . . . -39.03 170.14 0.01 OUTLIER Glycine 0 CA--C 1.526 0.775 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.476 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' DBU . . . . . 0.555 ' CG ' ' O ' ' A' ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.643 ' SG ' ' O ' ' A' ' 12' ' ' DBB . 25.5 p -103.32 -54.37 2.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.471 -179.498 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.548 ' C ' ' O ' ' A' ' 19' ' ' CYS . 78.6 m . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.573 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.54 ' O ' ' N ' ' A' ' 3' ' ' ILE . . . . . . . . 0 N--CA 1.488 2.162 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.965 ' O ' ' HG1' ' A' ' 18' ' ' DBU . 8.3 ttp180 56.13 -80.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.745 0.307 . . . . 0.0 110.739 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.713 ' O ' HG22 ' A' ' 3' ' ' ILE . 6.1 mt -123.0 9.69 5.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.531 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.623 ' N ' ' HG3' ' A' ' 18' ' ' DBU . 43.1 t0 -92.29 108.67 20.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.592 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' DBU . . . . . 0.679 ' C ' ' HA3' ' A' ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.984 ' SG ' ' HG2' ' A' ' 18' ' ' DBU . 0.8 OUTLIER -114.7 74.12 3.18 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.003 179.833 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.672 ' HD3' ' C ' ' A' ' 5' ' ' DBU . 39.7 Cg_exo -59.07 143.02 99.96 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.827 2.352 . . . . 0.0 112.233 -179.524 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 7' ' ' PRO . . . 72.45 -8.84 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.617 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 11' ' ' GLY . . . -86.8 -6.04 80.39 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.572 ' O ' ' O ' ' A' ' 2' ' ' ARG . . . 57.06 -81.39 0.01 OUTLIER Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 9' ' ' GLY . . . -49.85 -89.17 0.01 OUTLIER Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' DBB . . . . . 0.633 ' O ' ' SG ' ' A' ' 19' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' DAL . . . . . 0.595 ' C ' ' H ' ' A' ' 15' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.676 ' O ' ' HG2' ' A' ' 16' ' ' DBB . 78.7 mm-40 -48.66 -10.84 0.03 OUTLIER 'General case' 0 C--N 1.343 0.301 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.567 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.595 ' H ' ' C ' ' A' ' 13' ' ' DAL . 1.9 tp60 -60.63 -24.11 65.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.365 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' DBB . . . . . 0.676 ' HG2' ' O ' ' A' ' 14' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.679 ' HA3' ' C ' ' A' ' 5' ' ' DBU . . . -44.33 -170.34 0.01 OUTLIER Glycine 0 CA--C 1.528 0.894 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' DBU . . . . . 0.984 ' HG2' ' SG ' ' A' ' 6' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.633 ' SG ' ' O ' ' A' ' 12' ' ' DBB . 18.7 p -139.12 -39.09 0.49 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.79 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.573 ' HB3' ' O ' ' A' ' 16' ' ' DBB . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.597 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.351 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.963 ' O ' ' HG1' ' A' ' 18' ' ' DBU . 92.7 mtm-85 -63.69 -37.25 86.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.81 0.338 . . . . 0.0 110.419 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.728 HD13 ' H ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -107.43 8.79 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.537 -179.874 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.458 ' C ' ' H ' ' A' ' 6' ' ' CYS . 64.3 t0 -49.64 114.02 0.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.43 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.656 ' CB ' ' HG2' ' A' ' 18' ' ' DBU . 15.2 t -61.6 140.6 95.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.38 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.589 ' HD2' ' SG ' ' A' ' 6' ' ' CYS . 41.2 Cg_endo -68.65 76.92 0.75 Allowed 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.73 2.287 . . . . 0.0 112.397 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 7' ' ' PRO . . . 70.25 -52.6 0.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.669 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' A' ' 8' ' ' ALA . . . -31.12 124.28 0.17 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.881 -0.887 . . . . 0.0 110.881 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.53 -43.74 98.59 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 13' ' ' DAL . . . -65.75 -42.81 95.04 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' DBB . . . . . 0.706 ' HA ' ' HG2' ' A' ' 18' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' DAL . . . . . 0.563 ' HB3' ' H ' ' A' ' 19' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.55 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 68.4 mm-40 -47.07 -14.17 0.03 OUTLIER 'General case' 0 C--O 1.231 0.115 0 CA-C-O 120.776 0.322 . . . . 0.0 110.453 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.82 ' O ' ' HG3' ' A' ' 16' ' ' DBB . 77.3 mt-30 -57.42 -29.59 64.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.565 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' DBB . . . . . 0.82 ' HG3' ' O ' ' A' ' 15' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.712 ' O ' ' C ' ' A' ' 18' ' ' DBU . . . 11.25 -118.11 0.01 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' DBU . . . . . 0.963 ' HG1' ' O ' ' A' ' 2' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.59 ' N ' ' O ' ' A' ' 17' ' ' GLY . 13.9 p -117.3 -5.04 11.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.472 -179.564 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.686 ' HB2' ' C ' ' A' ' 16' ' ' DBB . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.586 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.331 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.35 -38.28 90.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.873 0.368 . . . . 0.0 110.609 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 91.6 mt -66.23 -23.97 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.553 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -61.25 -43.8 98.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.616 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' DBU . . . . . 0.508 ' CA ' ' HA3' ' A' ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.926 ' HB3' ' HG2' ' A' ' 18' ' ' DBU . 22.6 t -111.56 97.4 36.48 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.286 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.622 ' O ' ' N ' ' A' ' 9' ' ' GLY . 33.3 Cg_exo -56.18 126.42 22.3 Favored 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 122.285 1.99 . . . . 0.0 111.737 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.544 ' C ' ' O ' ' A' ' 7' ' ' PRO . . . 25.41 40.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.927 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.622 ' N ' ' O ' ' A' ' 7' ' ' PRO . . . -109.55 116.98 4.69 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.83 -49.32 64.02 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.552 ' O ' ' N ' ' A' ' 13' ' ' DAL . . . -64.62 -49.12 66.13 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 110.457 -1.057 . . . . 0.0 110.457 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' DBB . . . . . 0.934 ' HG1' ' HB3' ' A' ' 15' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' DAL . . . . . 0.76 ' HB3' ' O ' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -65.62 -34.01 77.24 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.92 0.391 . . . . 0.0 110.479 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.934 ' HB3' ' HG1' ' A' ' 12' ' ' DBB . 5.9 mm-40 -63.14 -30.19 71.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.527 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' DBB . . . . . 0.594 ' O ' ' C ' ' A' ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.654 ' O ' ' C ' ' A' ' 18' ' ' DBU . . . 10.56 -128.03 0.01 OUTLIER Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.659 -0.576 . . . . 0.0 111.659 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' DBU . . . . . 0.926 ' HG2' ' HB3' ' A' ' 6' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.55 ' SG ' ' C ' ' A' ' 12' ' ' DBB . 0.0 OUTLIER -59.76 -39.87 86.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 113.877 -1.511 . . . . 0.0 110.054 -179.683 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.641 ' N ' ' O ' ' A' ' 17' ' ' GLY . 20.0 m . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.313 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.494 ' O ' ' HB3' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 4' ' ' ASP . 89.6 mtm180 -65.91 153.4 42.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.845 0.355 . . . . 0.0 110.635 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.811 ' O ' HG22 ' A' ' 3' ' ' ILE . 3.9 mt 46.67 14.11 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.601 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.527 ' O ' ' HA3' ' A' ' 17' ' ' GLY . 67.9 t0 -98.75 98.52 9.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.568 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' DBU . . . . . 0.631 ' C ' ' HD3' ' A' ' 7' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.565 ' HB3' ' HG2' ' A' ' 18' ' ' DBU . 7.9 t -129.6 60.33 50.73 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.795 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.631 ' HD3' ' C ' ' A' ' 5' ' ' DBU . 35.6 Cg_exo -60.09 140.29 91.77 Favored 'Trans proline' 0 C--N 1.303 -1.839 0 C-N-CA 122.708 2.272 . . . . 0.0 112.066 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 40.3 18.75 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.568 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.605 ' N ' ' O ' ' A' ' 7' ' ' PRO . . . -78.2 -28.28 56.32 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.78 -90.26 1.66 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.608 ' O ' ' N ' ' A' ' 13' ' ' DAL . . . -63.37 -38.8 96.98 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' DBB . . . . . 0.899 ' HG2' ' H ' ' A' ' 16' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' DAL . . . . . 0.751 ' HB3' ' O ' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -67.05 -21.33 65.91 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-O 120.863 0.363 . . . . 0.0 110.632 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.836 ' HB3' ' HG1' ' A' ' 12' ' ' DBB . 9.6 mm-40 -64.69 -30.97 72.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.633 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' DBB . . . . . 0.899 ' H ' ' HG2' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.594 ' O ' ' O ' ' A' ' 12' ' ' DBB . . . -52.21 136.09 35.27 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 111.121 -0.791 . . . . 0.0 111.121 -179.408 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' DBU . . . . . 0.565 ' HG2' ' HB3' ' A' ' 6' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.722 ' H ' ' HB3' ' A' ' 13' ' ' DAL . 8.3 p -174.23 26.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.787 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.512 ' HB2' ' O ' ' A' ' 16' ' ' DBB . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.559 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.486 ' HA2' ' OD1' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.492 2.371 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.674 ' O ' ' HG1' ' A' ' 18' ' ' DBU . 86.5 mtm-85 -76.88 19.55 0.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.788 0.327 . . . . 0.0 110.548 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.611 ' O ' HG22 ' A' ' 3' ' ' ILE . 4.4 mt -141.75 1.27 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.496 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.486 ' OD1' ' HA2' ' A' ' 1' ' ' GLY . 1.8 m-20 -65.94 -37.18 85.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.519 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' DBU . . . . . 0.547 ' O ' ' HD3' ' A' ' 7' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.672 ' SG ' ' O ' ' A' ' 17' ' ' GLY . 1.7 p -99.21 90.94 1.24 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.286 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.547 ' HD3' ' O ' ' A' ' 5' ' ' DBU . 28.3 Cg_endo -62.68 140.62 81.83 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.818 2.346 . . . . 0.0 112.139 -178.502 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 58.08 5.23 0.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.566 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.441 ' H ' ' C ' ' A' ' 7' ' ' PRO . . . -91.59 3.88 78.99 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.506 ' O ' ' C ' ' A' ' 11' ' ' GLY . . . 44.81 -106.58 0.11 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.506 ' C ' ' O ' ' A' ' 10' ' ' GLY . . . -30.8 -75.64 0.04 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' DBB . . . . . 0.801 ' HG2' ' HB2' ' A' ' 15' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' DAL . . . . . 0.569 ' C ' ' N ' ' A' ' 15' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 56.8 mp0 -44.85 -15.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.743 0.306 . . . . 0.0 110.527 179.402 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.801 ' HB2' ' HG2' ' A' ' 12' ' ' DBB . 93.8 mt-30 -59.56 -19.18 46.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.593 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' DBB . . . . . 0.663 ' O ' ' O ' ' A' ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.672 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -39.19 176.41 0.01 OUTLIER Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.404 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' DBU . . . . . 0.674 ' HG1' ' O ' ' A' ' 2' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.536 ' O ' ' C ' ' A' ' 20' ' ' CYS . 20.2 p -147.09 -41.23 0.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.211 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.616 ' HB2' ' C ' ' A' ' 16' ' ' DBB . 1.3 m . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.623 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.523 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 88.9 mmt-85 . . . . . 0 N--CA 1.456 -0.133 0 CA-C-O 120.876 0.37 . . . . 0.0 110.326 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.523 ' HB ' ' O ' ' A' ' 2' ' ' ARG . 46.6 mm 72.67 -14.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.464 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.457 ' H ' ' C ' ' A' ' 2' ' ' ARG . 64.7 t0 . . . . . 0 C--N 1.331 -0.212 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.536 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.46 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 15.6 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.766 0.317 . . . . 0.0 110.594 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.508 ' HA ' HG23 ' A' ' 3' ' ' ILE . 23.8 Cg_exo -60.49 143.64 99.47 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.604 2.203 . . . . 0.0 111.675 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 46.54 14.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.532 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.488 ' N ' ' C ' ' A' ' 7' ' ' PRO . . . -117.54 100.78 0.89 Allowed Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.23 -36.18 93.07 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.316 -1.114 . . . . 0.0 110.316 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.624 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 179.686 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' A' ' 14' ' ' GLU . 49.5 tp10 . . . . . 0 CA--C 1.529 0.136 0 CA-C-O 120.859 0.361 . . . . 0.0 110.173 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.986 179.83 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.519 ' O ' ' OXT' ' A' ' 20' ' ' CYS . 6.6 p . . . . . 0 N--CA 1.456 -0.144 0 CA-C-O 120.704 0.288 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.519 ' OXT' ' O ' ' A' ' 19' ' ' CYS . 0.4 OUTLIER . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.643 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.406 ' C ' ' H ' ' A' ' 4' ' ' ASP . 84.3 mtt85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.829 0.347 . . . . 0.0 110.578 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.52 ' O ' HG22 ' A' ' 3' ' ' ILE . 95.8 mt -56.83 -8.24 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.595 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.406 ' H ' ' C ' ' A' ' 2' ' ' ARG . 46.3 p-10 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.575 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.46 ' SG ' ' O ' ' A' ' 9' ' ' GLY . 13.3 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.866 0.365 . . . . 0.0 110.466 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.592 ' O ' ' N ' ' A' ' 9' ' ' GLY . 32.8 Cg_exo -56.05 135.35 69.39 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.789 2.326 . . . . 0.0 112.153 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.462 ' C ' ' O ' ' A' ' 7' ' ' PRO . . . 34.92 27.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.582 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.592 ' N ' ' O ' ' A' ' 7' ' ' PRO . . . -114.07 60.66 0.37 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.551 ' C ' ' O ' ' A' ' 9' ' ' GLY . . . -26.03 -42.91 0.01 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 9' ' ' GLY . . . . . . . . 0 CA--C 1.526 0.72 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.401 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 21.6 pt-20 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.815 0.341 . . . . 0.0 110.547 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.553 -179.938 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 p . . . . . 0 CA--C 1.528 0.125 0 N-CA-C 111.306 0.113 . . . . 0.0 111.306 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.59 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.4 ' HA ' ' HD3' ' A' ' 2' ' ' ARG . 89.4 mmt-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.827 0.346 . . . . 0.0 110.366 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.445 ' O ' ' O ' ' A' ' 6' ' ' CYS . 42.2 mm -67.24 -26.36 36.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.548 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 58.3 t0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.658 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.575 ' SG ' ' HD2' ' A' ' 7' ' ' PRO . 47.7 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.834 0.349 . . . . 0.0 110.177 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.575 ' HD2' ' SG ' ' A' ' 6' ' ' CYS . 46.1 Cg_endo -71.56 54.71 1.98 Allowed 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 122.795 2.33 . . . . 0.0 112.283 -179.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 45.04 36.59 2.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.4 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.45 10.31 67.03 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.555 ' O ' ' C ' ' A' ' 11' ' ' GLY . . . 75.11 -92.86 0.85 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.344 -1.102 . . . . 0.0 110.344 -179.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.555 ' C ' ' O ' ' A' ' 10' ' ' GLY . . . . . . . . 0 CA--C 1.521 0.467 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.869 0.366 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.381 -179.577 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.205 0 CA-C-O 120.786 0.327 . . . . 0.0 110.374 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.041 -0.98 . . . . 0.0 110.688 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.884 0.373 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 92.4 mt -66.96 -25.24 33.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.292 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 64.8 t0 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.502 179.904 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.659 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 18.5 p . . . . . 0 C--O 1.23 0.065 0 CA-C-O 121.237 0.542 . . . . 0.0 110.266 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.406 ' C ' ' N ' ' A' ' 9' ' ' GLY . 24.1 Cg_exo -60.16 143.24 99.54 Favored 'Trans proline' 0 C--N 1.304 -1.788 0 C-N-CA 122.664 2.243 . . . . 0.0 111.866 -179.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 49.85 15.51 0.17 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.752 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 7' ' ' PRO . . . -76.84 -13.94 83.09 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 62.5 -82.42 0.03 OUTLIER Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.383 0 N-CA-C 110.169 -1.172 . . . . 0.0 110.169 179.7 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.639 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 13.0 pt-20 . . . . . 0 N--CA 1.455 -0.198 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 . . . . . 0 C--N 1.332 -0.16 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.752 179.599 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.619 ' SG ' ' N ' ' A' ' 14' ' ' GLU . 1.7 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.615 0.245 . . . . 0.0 111.188 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.639 ' SG ' ' O ' ' A' ' 14' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.494 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.974 0.416 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.614 ' O ' HG22 ' A' ' 3' ' ' ILE . 74.3 mt -77.26 -1.03 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.572 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 66.1 t0 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.543 -179.7 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.6 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.74 0.305 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.587 ' O ' ' N ' ' A' ' 9' ' ' GLY . 48.9 Cg_endo -72.47 108.87 2.62 Favored 'Trans proline' 0 C--N 1.303 -1.839 0 C-N-CA 122.417 2.078 . . . . 0.0 111.813 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 7' ' ' PRO . . . 38.86 22.21 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.518 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.587 ' N ' ' O ' ' A' ' 7' ' ' PRO . . . -94.08 116.69 5.31 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.37 -33.87 87.56 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.355 -1.098 . . . . 0.0 110.355 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.676 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 179.819 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 120.673 0.273 . . . . 0.0 110.484 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.885 179.637 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.536 ' O ' ' C ' ' A' ' 20' ' ' CYS . 13.1 p . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.692 0.282 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.536 ' C ' ' O ' ' A' ' 19' ' ' CYS . 0.9 OUTLIER . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.635 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.721 0.296 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.404 HD12 HG23 ' A' ' 3' ' ' ILE . 42.9 mm -67.35 -25.49 33.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.792 0.33 . . . . 0.0 110.793 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.74 -179.773 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.8 p . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.895 0.378 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.633 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 35.2 Cg_endo -65.56 147.29 86.37 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.808 2.339 . . . . 0.0 112.096 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 7' ' ' PRO . . . 77.6 -24.64 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.471 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 11' ' ' GLY . . . -85.64 -7.76 81.29 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.548 ' O ' ' C ' ' A' ' 11' ' ' GLY . . . 53.65 -89.2 0.01 OUTLIER Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.506 -1.038 . . . . 0.0 110.506 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.548 ' C ' ' O ' ' A' ' 10' ' ' GLY . . . . . . . . 0 CA--C 1.52 0.384 0 N-CA-C 110.403 -1.079 . . . . 0.0 110.403 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.789 0.328 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 . . . . . 0 C--N 1.331 -0.203 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.647 179.616 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 29.3 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.861 0.362 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.5 p . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.491 179.701 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.458 ' C ' ' H ' ' A' ' 4' ' ' ASP . 94.6 mtt-85 . . . . . 0 CA--C 1.522 -0.126 0 CA-C-O 120.933 0.397 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.775 ' O ' HG22 ' A' ' 3' ' ' ILE . 3.0 mt 51.43 11.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.491 -179.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.458 ' H ' ' C ' ' A' ' 2' ' ' ARG . 46.6 t0 . . . . . 0 C--N 1.331 -0.202 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.423 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.644 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 14.9 p . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 121.228 0.537 . . . . 0.0 110.623 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.463 ' C ' ' H ' ' A' ' 9' ' ' GLY . 21.9 Cg_endo -62.51 143.26 92.78 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.633 2.222 . . . . 0.0 111.497 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 59.72 3.55 0.46 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.334 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.463 ' H ' ' C ' ' A' ' 7' ' ' PRO . . . -83.53 109.77 3.2 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 110.577 -1.009 . . . . 0.0 110.577 179.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.3 -33.73 81.78 Favored Glycine 0 CA--C 1.519 0.299 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.575 0 N-CA-C 110.269 -1.132 . . . . 0.0 110.269 179.198 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.594 0.235 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 . . . . . 0 C--N 1.331 -0.226 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -179.908 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.1 p . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.557 0.218 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.463 179.7 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.459 ' C ' HD12 ' A' ' 3' ' ' ILE . 39.7 mmt180 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.799 0.333 . . . . 0.0 110.574 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.459 HD12 ' C ' ' A' ' 2' ' ' ARG . 1.4 mp 61.07 2.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.493 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.443 ' H ' ' C ' ' A' ' 2' ' ' ARG . 42.3 t0 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.584 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.657 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 14.8 p . . . . . 0 CA--C 1.523 -0.069 0 CA-C-O 121.156 0.503 . . . . 0.0 110.358 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.548 ' HD3' ' N ' ' A' ' 6' ' ' CYS . 38.5 Cg_exo -60.0 143.12 99.6 Favored 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 122.821 2.347 . . . . 0.0 112.018 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 7' ' ' PRO . . . 67.91 -5.95 0.78 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.528 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.597 ' O ' ' N ' ' A' ' 11' ' ' GLY . . . -88.79 76.23 1.89 Allowed Glycine 0 CA--C 1.522 0.51 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.495 ' C ' ' O ' ' A' ' 9' ' ' GLY . . . -31.17 -33.2 0.01 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' A' ' 9' ' ' GLY . . . . . . . . 0 CA--C 1.523 0.574 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.52 ' HG3' ' O ' ' A' ' 14' ' ' GLU . 49.8 tp10 . . . . . 0 N--CA 1.455 -0.186 0 CA-C-O 120.802 0.334 . . . . 0.0 110.514 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.569 179.858 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.627 ' SG ' ' N ' ' A' ' 20' ' ' CYS . 8.2 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.615 0.245 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.627 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--O 1.221 -0.413 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.566 -179.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 84.7 mtt85 . . . . . 0 CA--C 1.528 0.102 0 CA-C-O 120.646 0.26 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.612 HG23 ' HA ' ' A' ' 7' ' ' PRO . 94.6 mt -63.07 -42.74 97.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.072 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 . . . . . 0 C--N 1.328 -0.339 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.365 -179.626 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.596 ' SG ' ' HA3' ' A' ' 9' ' ' GLY . 16.6 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.636 0.255 . . . . 0.0 110.686 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.612 ' HA ' HG23 ' A' ' 3' ' ' ILE . 27.9 Cg_exo -58.47 139.02 88.95 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.27 1.98 . . . . 0.0 111.42 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 42.41 17.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.609 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.596 ' HA3' ' SG ' ' A' ' 6' ' ' CYS . . . -101.69 68.53 0.4 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.709 -0.956 . . . . 0.0 110.709 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.516 ' C ' ' O ' ' A' ' 9' ' ' GLY . . . -29.78 -54.52 0.2 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.529 -1.029 . . . . 0.0 110.529 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.551 0 N-CA-C 110.431 -1.068 . . . . 0.0 110.431 179.501 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.519 ' O ' ' HG2' ' A' ' 14' ' ' GLU . 80.4 tt0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.741 0.305 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.753 -179.526 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.5 ' O ' ' C ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.492 0 CA-C-O 120.734 0.302 . . . . 0.0 111.647 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.5 ' C ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.218 -0.597 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.609 -179.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 120.83 0.348 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.53 ' O ' HG22 ' A' ' 3' ' ' ILE . 36.4 mm -104.33 3.2 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.623 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.4 -179.848 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.643 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 20.4 p . . . . . 0 C--O 1.233 0.218 0 CA-C-O 121.144 0.497 . . . . 0.0 110.607 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.48 ' O ' ' N ' ' A' ' 9' ' ' GLY . 36.3 Cg_endo -65.58 144.56 79.29 Favored 'Trans proline' 0 C--N 1.304 -1.8 0 C-N-CA 122.875 2.383 . . . . 0.0 112.018 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 46.38 15.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.797 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.591 ' O ' ' N ' ' A' ' 11' ' ' GLY . . . -80.08 -6.5 89.14 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 48.7 -83.41 0.01 OUTLIER Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.591 ' N ' ' O ' ' A' ' 9' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.707 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.53 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 97.1 mt-10 . . . . . 0 CA--C 1.527 0.085 0 CA-C-O 120.637 0.256 . . . . 0.0 110.671 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.959 0.409 . . . . 0.0 110.609 179.817 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.53 ' SG ' ' N ' ' A' ' 14' ' ' GLU . 6.3 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.556 0.217 . . . . 0.0 111.386 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.221 -0.41 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.778 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.715 0.293 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 60.0 mt -63.92 -43.78 97.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.588 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.548 179.917 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.617 ' SG ' ' HD2' ' A' ' 7' ' ' PRO . 16.0 t . . . . . 0 C--O 1.231 0.114 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.691 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 53.0 Cg_endo -73.02 53.91 2.54 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.853 2.368 . . . . 0.0 112.094 -179.504 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 7' ' ' PRO . . . 81.91 -7.56 1.37 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.608 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.555 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -74.01 129.38 11.68 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.17 -39.73 98.28 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.612 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.793 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.607 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 57.5 mp0 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.758 0.313 . . . . 0.0 110.545 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.593 179.527 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 9.2 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.569 0.223 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.607 ' SG ' ' O ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.218 -0.553 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.609 179.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 91.5 mtm180 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.777 0.322 . . . . 0.0 110.529 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.418 HD13 ' HA ' ' A' ' 3' ' ' ILE . 43.8 mm -69.43 -23.02 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.596 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 44.7 t0 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.652 179.907 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.0 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.56 0.219 . . . . 0.0 110.456 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 9' ' ' GLY . 36.5 Cg_endo -66.21 96.31 0.33 Allowed 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.861 2.374 . . . . 0.0 112.073 179.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 43.28 21.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.58 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 7' ' ' PRO . . . -89.5 124.14 7.23 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.33 -36.32 93.24 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.67 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.864 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.828 0.347 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.547 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.481 ' O ' ' C ' ' A' ' 20' ' ' CYS . 18.7 p . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.619 0.247 . . . . 0.0 111.09 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.481 ' C ' ' O ' ' A' ' 19' ' ' CYS . 1.3 m . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.944 -1.027 . . . . 0.0 110.544 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 79.9 mtp85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.788 0.328 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.624 HG21 ' HA ' ' A' ' 8' ' ' ALA . 7.8 mt -88.92 14.55 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.637 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.56 179.904 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.544 ' O ' ' O ' ' A' ' 3' ' ' ILE . 49.7 m . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.895 0.379 . . . . 0.0 110.33 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.748 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 56.1 Cg_endo -75.08 49.26 2.23 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.823 2.349 . . . . 0.0 112.018 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.748 ' HB3' ' O ' ' A' ' 7' ' ' PRO . . . 88.85 33.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.524 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.96 6.14 83.79 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 -100.92 1.58 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.743 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.595 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.567 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 49.0 tp10 . . . . . 0 N--CA 1.458 -0.049 0 CA-C-O 120.843 0.354 . . . . 0.0 110.599 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.574 179.882 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.567 ' SG ' ' N ' ' A' ' 14' ' ' GLU . 12.3 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.368 0.128 . . . . 0.0 111.323 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.535 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.54 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.517 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 79.8 mtp85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.798 0.333 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.638 ' N ' HD13 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -58.22 -39.78 74.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.331 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.593 ' N ' HG12 ' A' ' 3' ' ' ILE . 93.4 m-20 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.597 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.611 ' N ' ' O ' ' A' ' 3' ' ' ILE . 12.5 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.001 0.429 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -69.16 20.69 0.15 Allowed 'Trans proline' 0 C--N 1.302 -1.884 0 C-N-CA 122.957 2.438 . . . . 0.0 112.181 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.485 ' H ' ' C ' ' A' ' 6' ' ' CYS . . . -111.1 -28.15 8.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.648 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -165.64 156.0 27.67 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.62 -34.38 89.75 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.651 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.479 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 12.7 pt-20 . . . . . 0 CA--C 1.527 0.094 0 CA-C-O 120.888 0.375 . . . . 0.0 110.532 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.575 179.759 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 20' ' ' CYS . 5.0 p . . . . . 0 CA--C 1.526 0.057 0 CA-C-O 120.6 0.238 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.479 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 118.137 -0.935 . . . . 0.0 110.615 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.435 ' C ' ' H ' ' A' ' 4' ' ' ASP . 63.7 mtm180 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.693 0.282 . . . . 0.0 110.535 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.566 ' O ' HG22 ' A' ' 3' ' ' ILE . 44.4 mm -58.83 -4.9 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.512 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.435 ' H ' ' C ' ' A' ' 2' ' ' ARG . 55.1 m-20 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.539 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.685 0.279 . . . . 0.0 110.512 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.633 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 48.2 Cg_endo -71.23 125.9 11.82 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.769 2.313 . . . . 0.0 112.183 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 7' ' ' PRO . . . 77.42 -20.19 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.56 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.433 ' C ' ' H ' ' A' ' 11' ' ' GLY . . . -63.59 -37.55 94.93 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.542 ' HA2' HD11 ' A' ' 3' ' ' ILE . . . 75.57 -36.09 1.18 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.433 ' H ' ' C ' ' A' ' 9' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.709 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.837 0.351 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.559 -179.76 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.548 ' O ' ' C ' ' A' ' 20' ' ' CYS . 25.5 p . . . . . 0 C--O 1.231 0.115 0 N-CA-C 111.471 0.174 . . . . 0.0 111.471 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.548 ' C ' ' O ' ' A' ' 19' ' ' CYS . 78.6 m . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.573 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.572 ' O ' ' O ' ' A' ' 10' ' ' GLY . 8.3 ttp180 . . . . . 0 CA--C 1.524 -0.053 0 CA-C-O 120.745 0.307 . . . . 0.0 110.739 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.713 ' O ' HG22 ' A' ' 3' ' ' ILE . 6.1 mt -123.0 9.69 5.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.531 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 43.1 t0 . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.592 -179.841 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.149 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.57 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 39.7 Cg_exo -59.07 143.02 99.96 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.827 2.352 . . . . 0.0 112.233 -179.524 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 7' ' ' PRO . . . 72.45 -8.84 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.617 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 11' ' ' GLY . . . -86.8 -6.04 80.39 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.572 ' O ' ' O ' ' A' ' 2' ' ' ARG . . . 57.06 -81.39 0.01 OUTLIER Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 9' ' ' GLY . . . . . . . . 0 CA--C 1.526 0.765 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 120.619 0.247 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.365 -179.945 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.453 ' SG ' ' N ' ' A' ' 20' ' ' CYS . 18.7 p . . . . . 0 CA--C 1.53 0.207 0 CA-C-O 120.72 0.295 . . . . 0.0 110.79 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.453 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.597 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 92.7 mtm-85 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.81 0.338 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.728 HD13 ' H ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -107.43 8.79 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.537 -179.874 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 64.3 t0 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.43 -179.805 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.589 ' SG ' ' HD2' ' A' ' 7' ' ' PRO . 15.2 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.736 0.303 . . . . 0.0 110.38 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.589 ' HD2' ' SG ' ' A' ' 6' ' ' CYS . 41.2 Cg_endo -68.65 76.92 0.75 Allowed 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.73 2.287 . . . . 0.0 112.397 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 7' ' ' PRO . . . 70.25 -52.6 0.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.669 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' A' ' 8' ' ' ALA . . . -31.12 124.28 0.17 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.881 -0.887 . . . . 0.0 110.881 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.53 -43.74 98.59 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.723 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.781 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.55 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 68.4 mm-40 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.776 0.322 . . . . 0.0 110.453 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.565 179.775 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.489 ' O ' ' C ' ' A' ' 20' ' ' CYS . 13.9 p . . . . . 0 N--CA 1.461 0.092 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.55 ' SG ' ' O ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.586 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.873 0.368 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 91.6 mt -66.23 -23.97 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.553 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.616 179.964 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.532 ' SG ' ' HA3' ' A' ' 9' ' ' GLY . 22.6 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.749 0.309 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.622 ' O ' ' N ' ' A' ' 9' ' ' GLY . 33.3 Cg_exo -56.18 126.42 22.3 Favored 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 122.285 1.99 . . . . 0.0 111.737 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.544 ' C ' ' O ' ' A' ' 7' ' ' PRO . . . 25.41 40.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.927 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.622 ' N ' ' O ' ' A' ' 7' ' ' PRO . . . -109.55 116.98 4.69 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.83 -49.32 64.02 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.514 ' O ' ' SG ' ' A' ' 19' ' ' CYS . . . . . . . . 0 CA--C 1.52 0.369 0 N-CA-C 110.457 -1.057 . . . . 0.0 110.457 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.92 0.391 . . . . 0.0 110.479 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.527 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.514 ' SG ' ' O ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.233 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.0 m . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.313 179.637 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 4' ' ' ASP . 89.6 mtm180 . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.845 0.355 . . . . 0.0 110.635 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.811 ' O ' HG22 ' A' ' 3' ' ' ILE . 3.9 mt 46.67 14.11 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.601 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 2' ' ' ARG . 67.9 t0 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.568 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.547 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 7.9 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.779 0.323 . . . . 0.0 110.795 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.605 ' O ' ' N ' ' A' ' 9' ' ' GLY . 35.6 Cg_exo -60.09 140.29 91.77 Favored 'Trans proline' 0 C--N 1.303 -1.839 0 C-N-CA 122.708 2.272 . . . . 0.0 112.066 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 40.3 18.75 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.568 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.605 ' N ' ' O ' ' A' ' 7' ' ' PRO . . . -78.2 -28.28 56.32 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.78 -90.26 1.66 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.737 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.798 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 . . . . . 0 N--CA 1.461 0.095 0 CA-C-O 120.863 0.363 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.633 -179.774 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.409 ' O ' ' OXT' ' A' ' 20' ' ' CYS . 8.3 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.75 0.31 . . . . 0.0 110.787 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.409 ' OXT' ' O ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.559 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.489 ' C ' HG13 ' A' ' 3' ' ' ILE . 86.5 mtm-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.788 0.327 . . . . 0.0 110.548 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.611 ' O ' HG22 ' A' ' 3' ' ' ILE . 4.4 mt -141.75 1.27 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.496 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.519 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.439 ' HA ' ' HD2' ' A' ' 7' ' ' PRO . 1.7 p . . . . . 0 C--O 1.232 0.151 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.545 ' HA ' ' CG2' ' A' ' 3' ' ' ILE . 28.3 Cg_endo -62.68 140.62 81.83 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.818 2.346 . . . . 0.0 112.139 -178.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 58.08 5.23 0.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.566 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.441 ' H ' ' C ' ' A' ' 7' ' ' PRO . . . -91.59 3.88 78.99 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.506 ' O ' ' C ' ' A' ' 11' ' ' GLY . . . 44.81 -106.58 0.11 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.506 ' C ' ' O ' ' A' ' 10' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.659 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 56.8 mp0 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.743 0.306 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.593 179.835 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.536 ' O ' ' C ' ' A' ' 20' ' ' CYS . 20.2 p . . . . . 0 CA--C 1.534 0.347 0 N-CA-C 111.211 0.078 . . . . 0.0 111.211 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.536 ' C ' ' O ' ' A' ' 19' ' ' CYS . 1.3 m . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.623 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.523 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 88.9 mmt-85 -67.71 148.82 50.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.876 0.37 . . . . 0.0 110.326 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.523 ' HB ' ' O ' ' A' ' 2' ' ' ARG . 46.6 mm 72.67 -14.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.464 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.457 ' H ' ' C ' ' A' ' 2' ' ' ARG . 64.7 t0 -63.2 -41.22 99.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.536 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' DBU . . . . . 0.631 ' C ' ' HD3' ' A' ' 7' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.503 ' HB2' ' HG3' ' A' ' 12' ' ' DBB . 15.6 t -125.66 64.27 48.86 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.594 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.631 ' HD3' ' C ' ' A' ' 5' ' ' DBU . 23.8 Cg_exo -60.49 143.64 99.47 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.604 2.203 . . . . 0.0 111.675 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 46.54 14.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.532 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.488 ' N ' ' C ' ' A' ' 7' ' ' PRO . . . -117.54 100.78 0.89 Allowed Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.23 -36.18 93.07 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.316 -1.114 . . . . 0.0 110.316 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.524 ' O ' ' HB3' ' A' ' 12' ' ' DBB . . . -94.41 60.39 1.86 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' DBB . . . . . 0.876 ' HA ' ' HG2' ' A' ' 18' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' DAL . . . . . 0.477 ' O ' ' HB3' ' A' ' 20' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.563 ' O ' ' HG3' ' A' ' 16' ' ' DBB . 49.5 tp10 -70.01 -4.55 21.39 Favored 'General case' 0 C--N 1.343 0.3 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.173 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.647 ' O ' ' HG2' ' A' ' 16' ' ' DBB . 99.3 mm-40 -65.7 -26.12 67.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.986 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' DBB . . . . . 0.7 ' H ' ' HG2' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.667 ' O ' ' C ' ' A' ' 18' ' ' DBU . . . 2.54 -109.23 0.01 OUTLIER Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.513 -0.635 . . . . 0.0 111.513 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' DBU . . . . . 0.876 ' HG2' ' HA ' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.583 ' N ' ' O ' ' A' ' 17' ' ' GLY . 6.6 p -126.69 -21.66 4.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.971 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.519 ' OXT' ' O ' ' A' ' 19' ' ' CYS . 0.4 OUTLIER . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.643 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.616 ' O ' ' N ' ' A' ' 3' ' ' ILE . . . . . . . . 0 N--CA 1.491 2.311 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 1' ' ' GLY . 84.3 mtt85 36.38 -88.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.829 0.347 . . . . 0.0 110.578 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.616 ' N ' ' O ' ' A' ' 1' ' ' GLY . 95.8 mt -56.83 -8.24 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.595 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.594 ' OD1' ' N ' ' A' ' 5' ' ' DBU . 46.3 p-10 -66.77 -37.52 84.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.575 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' DBU . . . . . 0.6 ' C ' ' HD3' ' A' ' 7' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.575 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 13.3 t -119.31 72.87 13.95 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.466 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.6 ' HD3' ' C ' ' A' ' 5' ' ' DBU . 32.8 Cg_exo -56.05 135.35 69.39 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.789 2.326 . . . . 0.0 112.153 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.462 ' C ' ' O ' ' A' ' 7' ' ' PRO . . . 34.92 27.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.582 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.592 ' N ' ' O ' ' A' ' 7' ' ' PRO . . . -114.07 60.66 0.37 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.551 ' C ' ' O ' ' A' ' 9' ' ' GLY . . . -26.03 -42.91 0.01 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 9' ' ' GLY . . . -84.85 51.83 4.61 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' DBB . . . . . 0.735 ' HG2' ' H ' ' A' ' 16' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' DAL . . . . . 0.568 ' C ' ' H ' ' A' ' 15' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.401 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 21.6 pt-20 -50.26 -10.93 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.341 . . . . 0.0 110.547 179.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.658 ' O ' ' HG3' ' A' ' 16' ' ' DBB . 13.4 tp60 -59.52 -28.1 66.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.553 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' DBB . . . . . 0.735 ' H ' ' HG2' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.575 ' O ' ' HB2' ' A' ' 6' ' ' CYS . . . -28.68 151.64 0.0 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 p -136.41 -6.39 2.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.306 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.615 ' HB2' ' C ' ' A' ' 16' ' ' DBB . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.59 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.328 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.669 ' O ' ' HG3' ' A' ' 18' ' ' DBU . 89.4 mmt-85 -63.16 -39.14 93.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.827 0.346 . . . . 0.0 110.366 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.445 ' O ' ' O ' ' A' ' 6' ' ' CYS . 42.2 mm -67.24 -26.36 36.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.548 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -63.48 -40.06 96.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.658 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' DBU . . . . . 0.607 ' C ' ' HA3' ' A' ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.843 ' CB ' ' HG2' ' A' ' 18' ' ' DBU . 47.7 t -70.18 137.52 86.89 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.177 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.575 ' HD2' ' SG ' ' A' ' 6' ' ' CYS . 46.1 Cg_endo -71.56 54.71 1.98 Allowed 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 122.795 2.33 . . . . 0.0 112.283 -179.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 45.04 36.59 2.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.4 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.45 10.31 67.03 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.555 ' O ' ' C ' ' A' ' 11' ' ' GLY . . . 75.11 -92.86 0.85 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.344 -1.102 . . . . 0.0 110.344 -179.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.555 ' C ' ' O ' ' A' ' 10' ' ' GLY . . . -29.72 -67.2 0.11 Allowed Glycine 0 CA--C 1.521 0.467 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 179.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' DBB . . . . . 0.766 ' O ' ' HB3' ' A' ' 13' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' DAL . . . . . 0.766 ' HB3' ' O ' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -69.71 -25.74 64.0 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.726 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.737 ' HB3' ' HG1' ' A' ' 12' ' ' DBB . 1.2 mm-40 -77.26 -11.04 59.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.381 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' DBB . . . . . 0.596 ' O ' ' O ' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.648 ' O ' ' C ' ' A' ' 18' ' ' DBU . . . 13.83 -128.27 0.01 OUTLIER Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.674 -0.57 . . . . 0.0 111.674 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' DBU . . . . . 0.843 ' HG2' ' CB ' ' A' ' 6' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.622 ' SG ' ' C ' ' A' ' 12' ' ' DBB . 0.0 OUTLIER -65.83 -41.68 91.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 113.562 -1.653 . . . . 0.0 110.374 -179.73 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.63 ' SG ' ' O ' ' A' ' 13' ' ' DAL . 0.9 OUTLIER . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.041 -0.98 . . . . 0.0 110.688 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.331 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.568 ' NH1' ' O ' ' A' ' 18' ' ' DBU . 94.1 mtt-85 -63.68 -39.13 93.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.373 . . . . 0.0 110.358 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 92.4 mt -66.96 -25.24 33.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.292 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -62.96 -42.14 99.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.502 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.679 ' SG ' ' O ' ' A' ' 17' ' ' GLY . 18.5 p -131.0 80.25 69.77 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.266 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.406 ' C ' ' N ' ' A' ' 9' ' ' GLY . 24.1 Cg_exo -60.16 143.24 99.54 Favored 'Trans proline' 0 C--N 1.304 -1.788 0 C-N-CA 122.664 2.243 . . . . 0.0 111.866 -179.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 49.85 15.51 0.17 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.752 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 7' ' ' PRO . . . -76.84 -13.94 83.09 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 62.5 -82.42 0.03 OUTLIER Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.12 -39.24 95.57 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 110.169 -1.172 . . . . 0.0 110.169 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' DBB . . . . . 0.616 ' HA ' ' HG2' ' A' ' 18' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' DAL . . . . . 0.637 ' C ' ' N ' ' A' ' 15' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.639 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 13.0 pt-20 -42.68 -18.83 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 178.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.637 ' N ' ' C ' ' A' ' 13' ' ' DAL . 85.6 mt-30 -55.86 -9.49 0.58 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.752 179.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' DBB . . . . . 0.618 ' C ' ' HB2' ' A' ' 20' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.679 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -30.06 153.63 0.0 OUTLIER Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' DBU . . . . . 0.616 ' HG2' ' HA ' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.617 ' SG ' ' N ' ' A' ' 14' ' ' GLU . 1.7 p -137.38 18.22 2.94 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.188 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.639 ' SG ' ' O ' ' A' ' 14' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.494 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.431 ' O ' ' HB3' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.49 2.294 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.893 ' HG2' ' HG3' ' A' ' 18' ' ' DBU . 41.5 ttm180 -61.47 -44.32 97.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.974 0.416 . . . . 0.0 110.604 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.614 ' O ' HG22 ' A' ' 3' ' ' ILE . 74.3 mt -77.26 -1.03 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.572 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.431 ' HB3' ' O ' ' A' ' 1' ' ' GLY . 66.1 t0 -61.13 -40.98 95.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.543 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' DBU . . . . . 0.519 ' CA ' ' H ' ' A' ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.518 ' HB2' ' HG3' ' A' ' 12' ' ' DBB . 3.6 t -66.73 109.63 3.74 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.393 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.587 ' O ' ' N ' ' A' ' 9' ' ' GLY . 48.9 Cg_endo -72.47 108.87 2.62 Favored 'Trans proline' 0 C--N 1.303 -1.839 0 C-N-CA 122.417 2.078 . . . . 0.0 111.813 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 7' ' ' PRO . . . 38.86 22.21 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.518 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.587 ' N ' ' O ' ' A' ' 7' ' ' PRO . . . -94.08 116.69 5.31 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.37 -33.87 87.56 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.355 -1.098 . . . . 0.0 110.355 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.522 ' O ' ' HB3' ' A' ' 12' ' ' DBB . . . -95.11 56.24 1.8 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' DBB . . . . . 0.855 ' HG2' ' H ' ' A' ' 16' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' DAL . . . . . 0.552 ' O ' ' SG ' ' A' ' 19' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -69.89 -10.57 58.99 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.484 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.571 ' HB2' ' CG ' ' A' ' 12' ' ' DBB . 70.1 mt-30 -62.29 -24.14 67.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.885 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' DBB . . . . . 0.855 ' H ' ' HG2' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.554 ' O ' ' O ' ' A' ' 12' ' ' DBB . . . -33.7 159.1 0.01 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' DBU . . . . . 0.893 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.552 ' SG ' ' O ' ' A' ' 13' ' ' DAL . 13.1 p -135.04 -32.15 0.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.837 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.536 ' C ' ' O ' ' A' ' 19' ' ' CYS . 0.9 OUTLIER . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.635 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.584 ' O ' ' N ' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.491 2.314 0 N-CA-C 109.596 -1.401 . . . . 0.0 109.596 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.953 ' HA ' ' HG3' ' A' ' 18' ' ' DBU . 31.1 mmt180 22.96 -120.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.721 0.296 . . . . 0.0 110.978 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.404 HD12 HG23 ' A' ' 3' ' ' ILE . 42.9 mm -67.35 -25.49 33.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.792 0.33 . . . . 0.0 110.793 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.584 ' N ' ' O ' ' A' ' 1' ' ' GLY . 92.7 m-20 -61.74 -42.32 98.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.74 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' DBU . . . . . 0.465 ' HG2' ' CA ' ' A' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.646 ' SG ' ' O ' ' A' ' 17' ' ' GLY . 2.8 p -111.99 76.64 1.8 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.54 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.633 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 35.2 Cg_endo -65.56 147.29 86.37 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.808 2.339 . . . . 0.0 112.096 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 7' ' ' PRO . . . 77.6 -24.64 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.471 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 11' ' ' GLY . . . -85.64 -7.76 81.29 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.548 ' O ' ' C ' ' A' ' 11' ' ' GLY . . . 53.65 -89.2 0.01 OUTLIER Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.506 -1.038 . . . . 0.0 110.506 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.548 ' C ' ' O ' ' A' ' 10' ' ' GLY . . . -28.98 -93.64 0.01 OUTLIER Glycine 0 CA--C 1.52 0.384 0 N-CA-C 110.403 -1.079 . . . . 0.0 110.403 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' DBB . . . . . 0.684 ' HG3' ' C ' ' A' ' 16' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' DAL . . . . . 0.664 ' O ' ' SG ' ' A' ' 19' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.554 ' O ' ' HG3' ' A' ' 16' ' ' DBB . 75.2 mm-40 -55.07 -17.48 4.04 Favored 'General case' 0 C--N 1.342 0.25 0 O-C-N 121.865 -0.522 . . . . 0.0 110.381 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.571 ' HB2' ' HG2' ' A' ' 12' ' ' DBB . 25.9 mt-30 -63.12 -24.47 67.91 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.647 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' DBB . . . . . 0.684 ' C ' ' HG3' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.646 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -30.53 151.77 0.01 OUTLIER Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' DBU . . . . . 0.953 ' HG3' ' HA ' ' A' ' 2' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.664 ' SG ' ' O ' ' A' ' 13' ' ' DAL . 29.3 p -113.81 -3.89 13.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.408 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.601 ' SG ' ' O ' ' A' ' 16' ' ' DBB . 2.5 p . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.491 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.342 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.458 ' C ' ' H ' ' A' ' 4' ' ' ASP . 94.6 mtt-85 -67.22 153.62 43.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.933 0.397 . . . . 0.0 110.323 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.775 ' O ' HG22 ' A' ' 3' ' ' ILE . 3.0 mt 51.43 11.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.491 -179.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.521 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 46.6 t0 -96.63 109.42 22.04 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.423 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' DBU . . . . . 0.456 ' C ' ' HD3' ' A' ' 7' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.666 ' SG ' ' O ' ' A' ' 17' ' ' GLY . 14.9 p -110.11 69.75 0.54 Allowed Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 115.087 -0.961 . . . . 0.0 110.623 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.463 ' C ' ' H ' ' A' ' 9' ' ' GLY . 21.9 Cg_endo -62.51 143.26 92.78 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.633 2.222 . . . . 0.0 111.497 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 59.72 3.55 0.46 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.334 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.463 ' H ' ' C ' ' A' ' 7' ' ' PRO . . . -83.53 109.77 3.2 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 110.577 -1.009 . . . . 0.0 110.577 179.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.3 -33.73 81.78 Favored Glycine 0 CA--C 1.519 0.299 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -101.57 63.66 0.51 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.269 -1.132 . . . . 0.0 110.269 179.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' DBB . . . . . 0.734 ' CG ' ' H ' ' A' ' 16' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' DAL . . . . . 0.634 ' H2 ' ' HG2' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -51.52 -14.58 0.33 Allowed 'General case' 0 C--O 1.232 0.14 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.78 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.576 ' HB3' ' CG ' ' A' ' 12' ' ' DBB . 59.0 tt0 -61.83 -31.18 71.4 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' DBB . . . . . 0.734 ' H ' ' CG ' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.666 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -34.36 163.93 0.01 OUTLIER Glycine 0 CA--C 1.521 0.459 0 N-CA-C 111.336 -0.705 . . . . 0.0 111.336 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' DBU . . . . . 0.567 ' HG2' ' HA ' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.539 ' N ' ' O ' ' A' ' 12' ' ' DBB . 14.1 p -129.97 6.22 5.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.17 -179.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.6 ' HB2' ' C ' ' A' ' 16' ' ' DBB . 1.3 m . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.463 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.357 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.568 ' NH1' ' O ' ' A' ' 18' ' ' DBU . 39.7 mmt180 -67.7 150.81 48.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.799 0.333 . . . . 0.0 110.574 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.459 HD12 ' C ' ' A' ' 2' ' ' ARG . 1.4 mp 61.07 2.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.493 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.463 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 42.3 t0 -94.72 110.73 22.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.584 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' DBU . . . . . 0.644 ' C ' ' H ' ' A' ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.682 ' SG ' ' O ' ' A' ' 17' ' ' GLY . 14.8 p -134.31 61.42 49.87 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.358 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.555 ' HD3' ' C ' ' A' ' 5' ' ' DBU . 38.5 Cg_exo -60.0 143.12 99.6 Favored 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 122.821 2.347 . . . . 0.0 112.018 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 7' ' ' PRO . . . 67.91 -5.95 0.78 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.528 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.597 ' O ' ' N ' ' A' ' 11' ' ' GLY . . . -88.79 76.23 1.89 Allowed Glycine 0 CA--C 1.522 0.51 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.495 ' C ' ' O ' ' A' ' 9' ' ' GLY . . . -31.17 -33.2 0.01 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' A' ' 9' ' ' GLY . . . -98.21 63.83 0.84 Allowed Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' DBB . . . . . 0.688 ' CG ' ' H ' ' A' ' 16' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' DAL . . . . . 0.639 ' H2 ' ' HG2' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.591 ' O ' ' HG3' ' A' ' 16' ' ' DBB . 49.8 tp10 -53.13 -7.72 0.09 Allowed 'General case' 0 N--CA 1.455 -0.186 0 CA-C-O 120.802 0.334 . . . . 0.0 110.514 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.571 ' H ' ' C ' ' A' ' 13' ' ' DAL . 86.9 mt-30 -67.98 -23.99 65.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.569 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' DBB . . . . . 0.688 ' H ' ' CG ' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.682 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -36.36 165.84 0.01 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' DBU . . . . . 0.568 ' O ' ' NH1' ' A' ' 2' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.627 ' SG ' ' N ' ' A' ' 20' ' ' CYS . 8.2 p -137.04 -44.46 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.136 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.627 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--O 1.221 -0.413 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.566 -179.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.581 ' O ' ' N ' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.49 2.283 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.57 ' O ' ' CB ' ' A' ' 18' ' ' DBU . 84.7 mtt85 32.8 -98.99 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.646 0.26 . . . . 0.0 110.741 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.612 HG23 ' HA ' ' A' ' 7' ' ' PRO . 94.6 mt -63.07 -42.74 97.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.072 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.581 ' N ' ' O ' ' A' ' 1' ' ' GLY . 97.6 m-20 -48.69 137.16 12.48 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.365 -179.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' DBU . . . . . 0.653 ' C ' ' HA3' ' A' ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.747 ' HB3' ' HG2' ' A' ' 18' ' ' DBU . 16.6 t -132.8 63.18 66.36 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.686 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.612 ' HA ' HG23 ' A' ' 3' ' ' ILE . 27.9 Cg_exo -58.47 139.02 88.95 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.27 1.98 . . . . 0.0 111.42 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 42.41 17.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.609 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.596 ' HA3' ' SG ' ' A' ' 6' ' ' CYS . . . -101.69 68.53 0.4 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.709 -0.956 . . . . 0.0 110.709 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.516 ' C ' ' O ' ' A' ' 9' ' ' GLY . . . -29.78 -54.52 0.2 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.529 -1.029 . . . . 0.0 110.529 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.52 ' C ' ' H2 ' ' A' ' 13' ' ' DAL . . . -77.89 48.52 3.0 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.431 -1.068 . . . . 0.0 110.431 179.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' DBB . . . . . 0.853 ' HG1' ' CB ' ' A' ' 15' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' DAL . . . . . 0.775 ' HB3' ' O ' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.519 ' HG2' ' O ' ' A' ' 14' ' ' GLU . 80.4 tt0 -73.01 -0.28 13.37 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.872 -179.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.853 ' CB ' ' HG1' ' A' ' 12' ' ' DBB . 31.8 mt-30 -122.65 27.48 7.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.753 -179.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' DBB . . . . . 0.749 ' HG3' ' H ' ' A' ' 20' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.653 ' HA3' ' C ' ' A' ' 5' ' ' DBU . . . 25.12 -144.71 0.01 OUTLIER Glycine 0 CA--C 1.527 0.806 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' DBU . . . . . 0.747 ' HG2' ' HB3' ' A' ' 6' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.72 ' SG ' ' C ' ' A' ' 12' ' ' DBB . 0.0 OUTLIER -70.98 -37.26 72.73 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 114.147 -1.388 . . . . 0.0 111.647 -179.083 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.749 ' H ' ' HG3' ' A' ' 16' ' ' DBB . 0.0 OUTLIER . . . . . 0 C--O 1.218 -0.597 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.609 -179.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.653 ' O ' ' HG1' ' A' ' 18' ' ' DBU . 62.6 ttt180 -69.34 -17.4 63.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.83 0.348 . . . . 0.0 110.83 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.53 ' O ' HG22 ' A' ' 3' ' ' ILE . 36.4 mm -104.33 3.2 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.623 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.517 ' O ' ' HA3' ' A' ' 17' ' ' GLY . 84.3 m-20 -65.06 140.25 58.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.4 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' DBU . . . . . 0.557 ' O ' ' N ' ' A' ' 7' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.66 ' SG ' ' O ' ' A' ' 17' ' ' GLY . 20.4 p -25.81 91.2 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.607 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.557 ' N ' ' O ' ' A' ' 5' ' ' DBU . 36.3 Cg_endo -65.58 144.56 79.29 Favored 'Trans proline' 0 C--N 1.304 -1.8 0 C-N-CA 122.875 2.383 . . . . 0.0 112.018 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 46.38 15.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.797 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.591 ' O ' ' N ' ' A' ' 11' ' ' GLY . . . -80.08 -6.5 89.14 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.434 ' C ' ' H1 ' ' A' ' 12' ' ' DBB . . . 48.7 -83.41 0.01 OUTLIER Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.591 ' N ' ' O ' ' A' ' 9' ' ' GLY . . . -52.93 -27.05 28.46 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' DBB . . . . . 0.781 ' HA ' ' HG2' ' A' ' 18' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' DAL . . . . . 0.599 ' C ' ' H ' ' A' ' 15' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.572 ' O ' ' HG3' ' A' ' 16' ' ' DBB . 97.1 mt-10 -50.44 -9.16 0.04 OUTLIER 'General case' 0 C--N 1.339 0.115 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.671 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.599 ' H ' ' C ' ' A' ' 13' ' ' DAL . 87.8 mt-30 -70.63 8.26 0.9 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.959 0.409 . . . . 0.0 110.609 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' DBB . . . . . 0.578 ' O ' ' O ' ' A' ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.66 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -26.25 147.98 0.01 OUTLIER Glycine 0 CA--C 1.522 0.486 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 -179.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' DBU . . . . . 0.781 ' HG2' ' HA ' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.507 ' SG ' ' N ' ' A' ' 14' ' ' GLU . 6.3 p -131.65 10.57 4.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.386 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.528 ' HB3' ' O ' ' A' ' 16' ' ' DBB . 0.5 OUTLIER . . . . . 0 C--O 1.221 -0.41 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.778 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.887 ' N ' ' HG2' ' A' ' 5' ' ' DBU . . . . . . . . 0 N--CA 1.491 2.347 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.688 ' CA ' ' HG3' ' A' ' 18' ' ' DBU . 84.5 mtp180 34.71 -92.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.715 0.293 . . . . 0.0 110.61 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.536 ' N ' ' O ' ' A' ' 1' ' ' GLY . 60.0 mt -63.92 -43.78 97.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.588 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.553 ' N ' ' O ' ' A' ' 1' ' ' GLY . 54.3 m-20 -62.69 -36.49 83.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.548 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' DBU . . . . . 0.887 ' HG2' ' N ' ' A' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.617 ' SG ' ' HD2' ' A' ' 7' ' ' PRO . 16.0 t -74.12 137.67 75.69 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.752 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.691 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 53.0 Cg_endo -73.02 53.91 2.54 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.853 2.368 . . . . 0.0 112.094 -179.504 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 7' ' ' PRO . . . 81.91 -7.56 1.37 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.608 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.568 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -74.01 129.38 11.68 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.17 -39.73 98.28 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.615 ' O ' ' N ' ' A' ' 13' ' ' DAL . . . -64.74 -39.53 96.73 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' DBB . . . . . 0.601 ' HG2' ' H ' ' A' ' 16' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' DAL . . . . . 0.615 ' N ' ' O ' ' A' ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.607 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 57.5 mp0 -44.08 -15.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.758 0.313 . . . . 0.0 110.545 179.37 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.593 ' N ' ' C ' ' A' ' 13' ' ' DAL . 88.8 mt-30 -57.43 -25.73 60.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.593 179.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' DBB . . . . . 0.601 ' H ' ' HG2' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.619 ' O ' ' HG2' ' A' ' 18' ' ' DBU . . . -49.95 125.55 19.68 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' DBU . . . . . 0.688 ' HG3' ' CA ' ' A' ' 2' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.561 ' N ' ' HB3' ' A' ' 13' ' ' DAL . 9.2 p -154.38 30.15 0.43 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.078 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.607 ' SG ' ' O ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.218 -0.553 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.609 179.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.32 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.548 ' HB3' ' HG3' ' A' ' 18' ' ' DBU . 91.5 mtm180 -61.55 -43.07 99.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.777 0.322 . . . . 0.0 110.529 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.418 HD13 ' HA ' ' A' ' 3' ' ' ILE . 43.8 mm -69.43 -23.02 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.596 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.605 ' O ' ' CA ' ' A' ' 17' ' ' GLY . 44.7 t0 -69.48 103.35 2.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.652 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' DBU . . . . . 0.569 ' O ' ' HD3' ' A' ' 7' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.526 ' HB2' ' HG3' ' A' ' 12' ' ' DBB . 2.0 t -74.06 107.76 4.05 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.456 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.569 ' HD3' ' O ' ' A' ' 5' ' ' DBU . 36.5 Cg_endo -66.21 96.31 0.33 Allowed 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.861 2.374 . . . . 0.0 112.073 179.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 43.28 21.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.58 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 7' ' ' PRO . . . -89.5 124.14 7.23 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.33 -36.32 93.24 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.552 ' O ' ' HB3' ' A' ' 12' ' ' DBB . . . -89.86 50.37 3.43 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' DBB . . . . . 0.881 ' HG2' ' H ' ' A' ' 16' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' DAL . . . . . 0.568 ' O ' ' SG ' ' A' ' 19' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -67.93 -17.95 64.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.828 0.347 . . . . 0.0 110.581 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.649 ' CB ' ' HG1' ' A' ' 12' ' ' DBB . 24.3 mt-30 -55.93 -23.77 33.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.547 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' DBB . . . . . 0.881 ' H ' ' HG2' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.605 ' CA ' ' O ' ' A' ' 4' ' ' ASP . . . -31.19 155.04 0.01 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' DBU . . . . . 0.548 ' HG3' ' HB3' ' A' ' 2' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.568 ' SG ' ' O ' ' A' ' 13' ' ' DAL . 18.7 p -136.52 -29.1 0.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.09 -179.636 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.481 ' C ' ' O ' ' A' ' 19' ' ' CYS . 1.3 m . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.944 -1.027 . . . . 0.0 110.544 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.463 ' O ' ' HB2' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.491 2.333 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.407 ' O ' ' HG1' ' A' ' 18' ' ' DBU . 79.9 mtp85 -64.59 -37.55 87.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.788 0.328 . . . . 0.0 110.579 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.624 HG21 ' HA ' ' A' ' 8' ' ' ALA . 7.8 mt -88.92 14.55 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.637 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.463 ' HB2' ' O ' ' A' ' 1' ' ' GLY . 54.9 m-20 -64.01 -36.67 84.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.56 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.634 ' SG ' ' O ' ' A' ' 16' ' ' DBB . 49.7 m -83.29 144.66 47.09 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.33 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.748 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 56.1 Cg_endo -75.08 49.26 2.23 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.823 2.349 . . . . 0.0 112.018 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.748 ' HB3' ' O ' ' A' ' 7' ' ' PRO . . . 88.85 33.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.524 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.96 6.14 83.79 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 -100.92 1.58 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.12 -42.17 96.95 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' DBB . . . . . 0.929 ' HA ' ' HG2' ' A' ' 18' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' DAL . . . . . 0.588 ' C ' ' H ' ' A' ' 15' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.645 ' O ' ' HG3' ' A' ' 16' ' ' DBB . 49.0 tp10 -49.32 -11.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.843 0.354 . . . . 0.0 110.599 179.369 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.588 ' H ' ' C ' ' A' ' 13' ' ' DAL . 89.0 mt-30 -65.5 -8.1 17.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.574 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' DBB . . . . . 0.65 ' O ' ' C ' ' A' ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.65 ' C ' ' O ' ' A' ' 16' ' ' DBB . . . 12.97 -128.25 0.01 OUTLIER Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' DBU . . . . . 0.929 ' HG2' ' HA ' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.563 ' N ' ' O ' ' A' ' 17' ' ' GLY . 12.3 p -113.0 -10.11 13.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.323 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.624 ' HB3' ' C ' ' A' ' 16' ' ' DBB . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.54 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.517 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.514 ' O ' ' CG ' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.49 2.297 0 N-CA-C 109.471 -1.452 . . . . 0.0 109.471 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.488 ' O ' ' HG1' ' A' ' 18' ' ' DBU . 79.8 mtp85 -59.98 -35.8 75.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.798 0.333 . . . . 0.0 110.532 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.638 ' N ' HD13 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -58.22 -39.78 74.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.331 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.853 ' HB2' ' HG3' ' A' ' 18' ' ' DBU . 93.4 m-20 26.24 57.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.597 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' DBU . . . . . 0.637 ' C ' ' HA3' ' A' ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.611 ' N ' ' O ' ' A' ' 3' ' ' ILE . 12.5 t -143.41 65.93 15.34 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.272 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -69.16 20.69 0.15 Allowed 'Trans proline' 0 C--N 1.302 -1.884 0 C-N-CA 122.957 2.438 . . . . 0.0 112.181 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.485 ' H ' ' C ' ' A' ' 6' ' ' CYS . . . -111.1 -28.15 8.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.648 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.473 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -165.64 156.0 27.67 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.62 -34.38 89.75 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.599 ' O ' ' N ' ' A' ' 13' ' ' DAL . . . -61.91 -38.94 96.85 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' DBB . . . . . 0.76 ' HG2' ' H ' ' A' ' 16' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' DAL . . . . . 0.599 ' N ' ' O ' ' A' ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.479 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 12.7 pt-20 -70.36 -11.84 61.18 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-O 120.888 0.375 . . . . 0.0 110.532 178.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.543 ' C ' ' HG1' ' A' ' 12' ' ' DBB . 38.7 mm-40 -62.2 -9.56 8.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.575 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' DBB . . . . . 0.76 ' H ' ' HG2' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.637 ' HA3' ' C ' ' A' ' 5' ' ' DBU . . . -29.34 140.44 0.02 OUTLIER Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' DBU . . . . . 0.853 ' HG3' ' HB2' ' A' ' 4' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.457 ' N ' ' HB3' ' A' ' 13' ' ' DAL . 5.0 p -142.28 7.02 1.75 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.972 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.479 ' HA ' ' HA ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 118.137 -0.935 . . . . 0.0 110.615 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.502 ' O ' ' HB2' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.491 2.319 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.529 ' O ' ' HG3' ' A' ' 18' ' ' DBU . 63.7 mtm180 -64.82 -39.19 93.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.693 0.282 . . . . 0.0 110.535 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.566 ' O ' HG22 ' A' ' 3' ' ' ILE . 44.4 mm -58.83 -4.9 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.512 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.502 ' HB2' ' O ' ' A' ' 1' ' ' GLY . 55.1 m-20 -64.26 -39.04 93.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.539 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' DBU . . . . . 0.533 ' O ' ' HD3' ' A' ' 7' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.698 ' SG ' ' C ' ' A' ' 17' ' ' GLY . 1.0 OUTLIER -101.79 92.64 3.02 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.512 179.856 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.633 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 48.2 Cg_endo -71.23 125.9 11.82 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.769 2.313 . . . . 0.0 112.183 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 7' ' ' PRO . . . 77.42 -20.19 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.56 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.433 ' C ' ' H ' ' A' ' 11' ' ' GLY . . . -63.59 -37.55 94.93 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.542 ' HA2' HD11 ' A' ' 3' ' ' ILE . . . 75.57 -36.09 1.18 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.555 ' O ' ' CG ' ' A' ' 18' ' ' DBU . . . -90.88 -94.14 1.26 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' DBB . . . . . 0.977 ' CG ' ' H ' ' A' ' 16' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' DAL . . . . . 0.564 ' O ' ' SG ' ' A' ' 19' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 16' ' ' DBB . 17.2 pt-20 -57.3 -12.28 2.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.837 0.351 . . . . 0.0 110.613 179.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.671 ' HB2' ' HG2' ' A' ' 12' ' ' DBB . 24.4 mt-30 -64.02 -29.76 70.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.559 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' DBB . . . . . 0.977 ' H ' ' CG ' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.698 ' C ' ' SG ' ' A' ' 6' ' ' CYS . . . -39.03 170.14 0.01 OUTLIER Glycine 0 CA--C 1.526 0.775 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.476 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' DBU . . . . . 0.555 ' CG ' ' O ' ' A' ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.643 ' SG ' ' O ' ' A' ' 12' ' ' DBB . 25.5 p -103.32 -54.37 2.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.471 -179.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.548 ' C ' ' O ' ' A' ' 19' ' ' CYS . 78.6 m . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.573 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.54 ' O ' ' N ' ' A' ' 3' ' ' ILE . . . . . . . . 0 N--CA 1.488 2.162 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.965 ' O ' ' HG1' ' A' ' 18' ' ' DBU . 8.3 ttp180 56.13 -80.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.745 0.307 . . . . 0.0 110.739 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.713 ' O ' HG22 ' A' ' 3' ' ' ILE . 6.1 mt -123.0 9.69 5.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.531 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.623 ' N ' ' HG3' ' A' ' 18' ' ' DBU . 43.1 t0 -92.29 108.67 20.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.592 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' DBU . . . . . 0.679 ' C ' ' HA3' ' A' ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.984 ' SG ' ' HG2' ' A' ' 18' ' ' DBU . 0.8 OUTLIER -114.7 74.12 3.18 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.003 179.833 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.672 ' HD3' ' C ' ' A' ' 5' ' ' DBU . 39.7 Cg_exo -59.07 143.02 99.96 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.827 2.352 . . . . 0.0 112.233 -179.524 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 7' ' ' PRO . . . 72.45 -8.84 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.617 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 11' ' ' GLY . . . -86.8 -6.04 80.39 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.572 ' O ' ' O ' ' A' ' 2' ' ' ARG . . . 57.06 -81.39 0.01 OUTLIER Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 9' ' ' GLY . . . -49.85 -89.17 0.01 OUTLIER Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' DBB . . . . . 0.633 ' O ' ' SG ' ' A' ' 19' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' DAL . . . . . 0.595 ' C ' ' H ' ' A' ' 15' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.676 ' O ' ' HG2' ' A' ' 16' ' ' DBB . 78.7 mm-40 -48.66 -10.84 0.03 OUTLIER 'General case' 0 C--N 1.343 0.301 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.567 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.595 ' H ' ' C ' ' A' ' 13' ' ' DAL . 1.9 tp60 -60.63 -24.11 65.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.365 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' DBB . . . . . 0.676 ' HG2' ' O ' ' A' ' 14' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.679 ' HA3' ' C ' ' A' ' 5' ' ' DBU . . . -44.33 -170.34 0.01 OUTLIER Glycine 0 CA--C 1.528 0.894 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' DBU . . . . . 0.984 ' HG2' ' SG ' ' A' ' 6' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.633 ' SG ' ' O ' ' A' ' 12' ' ' DBB . 18.7 p -139.12 -39.09 0.49 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.79 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.573 ' HB3' ' O ' ' A' ' 16' ' ' DBB . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.597 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.351 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.963 ' O ' ' HG1' ' A' ' 18' ' ' DBU . 92.7 mtm-85 -63.69 -37.25 86.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.81 0.338 . . . . 0.0 110.419 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.728 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -107.43 8.79 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.537 -179.874 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.458 ' C ' ' H ' ' A' ' 6' ' ' CYS . 64.3 t0 -49.64 114.02 0.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.43 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.656 ' CB ' ' HG2' ' A' ' 18' ' ' DBU . 15.2 t -61.6 140.6 95.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.38 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.589 ' HD2' ' SG ' ' A' ' 6' ' ' CYS . 41.2 Cg_endo -68.65 76.92 0.75 Allowed 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.73 2.287 . . . . 0.0 112.397 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 7' ' ' PRO . . . 70.25 -52.6 0.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.669 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' A' ' 8' ' ' ALA . . . -31.12 124.28 0.17 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.881 -0.887 . . . . 0.0 110.881 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.53 -43.74 98.59 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 13' ' ' DAL . . . -65.75 -42.81 95.04 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' DBB . . . . . 0.706 ' HA ' ' HG2' ' A' ' 18' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' DAL . . . . . 0.563 ' HB3' ' H ' ' A' ' 19' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.55 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 68.4 mm-40 -47.07 -14.17 0.03 OUTLIER 'General case' 0 C--O 1.231 0.115 0 CA-C-O 120.776 0.322 . . . . 0.0 110.453 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.82 ' O ' ' HG3' ' A' ' 16' ' ' DBB . 77.3 mt-30 -57.42 -29.59 64.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.565 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' DBB . . . . . 0.82 ' HG3' ' O ' ' A' ' 15' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.712 ' O ' ' C ' ' A' ' 18' ' ' DBU . . . 11.25 -118.11 0.01 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' DBU . . . . . 0.963 ' HG1' ' O ' ' A' ' 2' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.59 ' N ' ' O ' ' A' ' 17' ' ' GLY . 13.9 p -117.3 -5.04 11.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.472 -179.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.686 ' HB2' ' C ' ' A' ' 16' ' ' DBB . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.586 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.331 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.35 -38.28 90.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.873 0.368 . . . . 0.0 110.609 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 91.6 mt -66.23 -23.97 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.553 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -61.25 -43.8 98.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.616 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' DBU . . . . . 0.508 ' CA ' ' HA3' ' A' ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.926 ' HB3' ' HG2' ' A' ' 18' ' ' DBU . 22.6 t -111.56 97.4 36.48 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.286 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.622 ' O ' ' N ' ' A' ' 9' ' ' GLY . 33.3 Cg_exo -56.18 126.42 22.3 Favored 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 122.285 1.99 . . . . 0.0 111.737 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.544 ' C ' ' O ' ' A' ' 7' ' ' PRO . . . 25.41 40.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.927 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.622 ' N ' ' O ' ' A' ' 7' ' ' PRO . . . -109.55 116.98 4.69 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.83 -49.32 64.02 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.552 ' O ' ' N ' ' A' ' 13' ' ' DAL . . . -64.62 -49.12 66.13 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 110.457 -1.057 . . . . 0.0 110.457 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' DBB . . . . . 0.934 ' HG1' ' HB3' ' A' ' 15' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' DAL . . . . . 0.76 ' HB3' ' O ' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -65.62 -34.01 77.24 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.92 0.391 . . . . 0.0 110.479 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.934 ' HB3' ' HG1' ' A' ' 12' ' ' DBB . 5.9 mm-40 -63.14 -30.19 71.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.527 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' DBB . . . . . 0.594 ' O ' ' C ' ' A' ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.654 ' O ' ' C ' ' A' ' 18' ' ' DBU . . . 10.56 -128.03 0.01 OUTLIER Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.659 -0.576 . . . . 0.0 111.659 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' DBU . . . . . 0.926 ' HG2' ' HB3' ' A' ' 6' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.55 ' SG ' ' C ' ' A' ' 12' ' ' DBB . 0.0 OUTLIER -59.76 -39.87 86.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 113.877 -1.511 . . . . 0.0 110.054 -179.683 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.641 ' N ' ' O ' ' A' ' 17' ' ' GLY . 20.0 m . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.313 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.494 ' O ' ' HB3' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 4' ' ' ASP . 89.6 mtm180 -65.91 153.4 42.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.845 0.355 . . . . 0.0 110.635 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.811 ' O ' HG22 ' A' ' 3' ' ' ILE . 3.9 mt 46.67 14.11 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.601 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.527 ' O ' ' HA3' ' A' ' 17' ' ' GLY . 67.9 t0 -98.75 98.52 9.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.568 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' DBU . . . . . 0.631 ' C ' ' HD3' ' A' ' 7' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.565 ' HB3' ' HG2' ' A' ' 18' ' ' DBU . 7.9 t -129.6 60.33 50.73 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.795 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.631 ' HD3' ' C ' ' A' ' 5' ' ' DBU . 35.6 Cg_exo -60.09 140.29 91.77 Favored 'Trans proline' 0 C--N 1.303 -1.839 0 C-N-CA 122.708 2.272 . . . . 0.0 112.066 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 40.3 18.75 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.568 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.605 ' N ' ' O ' ' A' ' 7' ' ' PRO . . . -78.2 -28.28 56.32 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.78 -90.26 1.66 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.608 ' O ' ' N ' ' A' ' 13' ' ' DAL . . . -63.37 -38.8 96.98 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' DBB . . . . . 0.899 ' HG2' ' H ' ' A' ' 16' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' DAL . . . . . 0.751 ' HB3' ' O ' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -67.05 -21.33 65.91 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-O 120.863 0.363 . . . . 0.0 110.632 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.836 ' HB3' ' HG1' ' A' ' 12' ' ' DBB . 9.6 mm-40 -64.69 -30.97 72.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.633 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' DBB . . . . . 0.899 ' H ' ' HG2' ' A' ' 12' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.594 ' O ' ' O ' ' A' ' 12' ' ' DBB . . . -52.21 136.09 35.27 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 111.121 -0.791 . . . . 0.0 111.121 -179.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' DBU . . . . . 0.565 ' HG2' ' HB3' ' A' ' 6' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.722 ' H ' ' HB3' ' A' ' 13' ' ' DAL . 8.3 p -174.23 26.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.787 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.512 ' HB2' ' O ' ' A' ' 16' ' ' DBB . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.559 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.486 ' HA2' ' OD1' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.492 2.371 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.674 ' O ' ' HG1' ' A' ' 18' ' ' DBU . 86.5 mtm-85 -76.88 19.55 0.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.788 0.327 . . . . 0.0 110.548 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.611 ' O ' HG22 ' A' ' 3' ' ' ILE . 4.4 mt -141.75 1.27 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.496 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.486 ' OD1' ' HA2' ' A' ' 1' ' ' GLY . 1.8 m-20 -65.94 -37.18 85.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.519 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' DBU . . . . . 0.547 ' O ' ' HD3' ' A' ' 7' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.672 ' SG ' ' O ' ' A' ' 17' ' ' GLY . 1.7 p -99.21 90.94 1.24 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.286 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.547 ' HD3' ' O ' ' A' ' 5' ' ' DBU . 28.3 Cg_endo -62.68 140.62 81.83 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.818 2.346 . . . . 0.0 112.139 -178.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 58.08 5.23 0.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.566 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.441 ' H ' ' C ' ' A' ' 7' ' ' PRO . . . -91.59 3.88 78.99 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.506 ' O ' ' C ' ' A' ' 11' ' ' GLY . . . 44.81 -106.58 0.11 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.506 ' C ' ' O ' ' A' ' 10' ' ' GLY . . . -30.8 -75.64 0.04 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' DBB . . . . . 0.801 ' HG2' ' HB2' ' A' ' 15' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' DAL . . . . . 0.569 ' C ' ' N ' ' A' ' 15' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 56.8 mp0 -44.85 -15.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.743 0.306 . . . . 0.0 110.527 179.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.801 ' HB2' ' HG2' ' A' ' 12' ' ' DBB . 93.8 mt-30 -59.56 -19.18 46.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.593 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' DBB . . . . . 0.663 ' O ' ' O ' ' A' ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.672 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -39.19 176.41 0.01 OUTLIER Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.404 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' DBU . . . . . 0.674 ' HG1' ' O ' ' A' ' 2' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.536 ' O ' ' C ' ' A' ' 20' ' ' CYS . 20.2 p -147.09 -41.23 0.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.211 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.616 ' HB2' ' C ' ' A' ' 16' ' ' DBB . 1.3 m . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.623 -179.947 . . . . . . . . 1 1 . 1 stop_ save_